data_1skh_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 1skh _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 ' 9' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 13' ' ' LEU . 1.6 p-90 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 tp -48.92 -39.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -56.96 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 29.0 t -61.15 -15.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.17 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -72.11 -54.1 10.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 22.6 m-85 -56.24 -50.36 71.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.562 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 19.4 m -62.56 -22.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.63 -45.3 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -38.59 82.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 15' ' ' VAL . 9.8 m0 -71.77 -53.96 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -55.01 -22.24 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.677 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -41.78 -55.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -52.2 -56.37 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t -52.35 -29.73 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD1' ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.18 -54.5 14.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.677 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.4 m-85 -56.43 -43.43 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.5 t -59.21 -25.66 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -78.82 -53.22 7.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 mtp -79.4 3.89 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.064 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.495 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 22.2 t90 -103.84 -24.38 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.68 -17.57 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 32.8 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.564 ' CZ2' HD23 ' A' ' 13' ' ' LEU . 46.8 t-105 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.569 HG21 ' CE1' ' A' ' 14' ' ' PHE . 2.3 mm -45.04 -38.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -64.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.443 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 51.1 t -47.34 -25.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.397 1.061 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.564 HD23 ' CZ2' ' A' ' 9' ' ' TRP . 1.4 mt -77.43 -45.88 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 10' ' ' ILE . 10.4 m-30 -58.8 -32.05 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.065 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 11.6 m -88.81 -22.23 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.58 -34.21 27.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.44 67.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.23 -40.35 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -62.33 -22.55 66.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.514 ' CE2' HD22 ' A' ' 13' ' ' LEU . 64.9 t-105 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.55 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 5.8 tp -55.48 -20.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -49.82 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 26.3 t -64.88 -12.92 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.514 HD22 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.38 -57.46 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 21.7 m-85 -51.15 -37.75 48.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 28.6 m -80.06 -24.23 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.85 -43.34 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 tpt -66.63 -33.77 76.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.61 -49.87 29.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.45 -21.5 66.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.56 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 2.8 mm -59.88 -16.17 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.21 -54.57 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.419 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -56.78 -18.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mt -83.24 -46.7 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 12.0 m-30 -58.25 -30.16 66.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 3.9 m -90.35 -21.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.94 -34.43 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -31.72 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -77.89 -40.17 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -20.26 66.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LEU . 52.3 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.565 HG22 ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mm -41.36 -44.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -54.97 22.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 54.6 t -57.65 -17.86 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' TRP . 2.2 mt -83.33 -46.3 12.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 10' ' ' ILE . 9.7 m-30 -58.51 -29.65 66.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 3.8 m -91.17 -20.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.24 -34.29 22.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.6 ttp -70.61 -33.31 70.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.427 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -79.05 -38.91 35.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -65.23 -18.6 65.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 0.0 110.068 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 2.3 tp -40.73 -31.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.417 ' N ' HG22 ' A' ' 10' ' ' ILE . 2.4 mm? -68.39 -52.98 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 3.9 t -49.7 -31.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.56 -54.67 7.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 23.0 m-85 -57.96 -36.77 73.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 12' ' ' VAL . 10.0 p -83.53 -9.92 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 12' ' ' VAL . . . -90.99 -40.64 11.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 ttm -71.94 -30.1 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -73.99 -47.04 39.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -22.37 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.426 ' CG ' ' N ' ' A' ' 10' ' ' ILE . 3.5 p-90 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -51.88 -35.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.404 ' N ' HG23 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -72.9 -45.07 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 41.6 t -66.42 -16.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.415 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -73.04 -53.99 9.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 20.3 m-85 -53.38 -48.5 68.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 28.8 m -68.94 -17.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.59 -34.33 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.02 -34.19 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.562 ' CZ2' ' HB3' ' A' ' 14' ' ' PHE . 9.6 m0 -75.66 -50.46 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.988 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -16.99 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.559 ' CZ2' HD23 ' A' ' 13' ' ' LEU . 11.5 t-105 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.663 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.0 mm -61.32 -31.16 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -51.68 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 44.6 t -59.73 -19.37 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.559 HD23 ' CZ2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -77.7 -54.87 5.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.663 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.1 m-85 -54.04 -36.94 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 27.1 m -81.59 -24.48 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 12' ' ' VAL . . . -79.78 -34.36 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -33.94 68.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.535 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -81.18 -23.78 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.37 65.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.405 ' NE1' HD11 ' A' ' 13' ' ' LEU . 55.1 t-105 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.647 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -46.97 -38.12 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.537 1.148 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -51.93 50.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.423 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 4.3 t -61.72 -15.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD11 ' NE1' ' A' ' 9' ' ' TRP . 2.0 mt -83.11 -48.33 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.376 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 19.3 m-85 -56.56 -31.71 64.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 4.4 m -88.21 -23.27 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.38 -34.39 31.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.089 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -37.2 60.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 107.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -72.56 -22.38 61.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.936 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.228 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.561 ' CE3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 tp -58.65 -27.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.18 29.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.9 t -67.6 -12.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.561 HD22 ' CE3' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -81.59 -55.32 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -53.74 -35.01 60.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -80.88 -26.36 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.61 -40.86 63.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -40.76 83.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.463 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -68.21 -46.42 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -62.85 -22.43 66.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.515 ' CE2' HD22 ' A' ' 13' ' ' LEU . 26.5 t-105 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.492 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 6.4 tt -55.49 -29.71 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -51.83 25.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 17.1 t -61.29 -15.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.515 HD22 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -79.7 -55.03 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.212 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.492 ' CZ ' HG12 ' A' ' 10' ' ' ILE . 23.8 m-85 -53.69 -36.08 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 26.2 m -81.0 -25.93 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.48 -39.42 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -64.57 -37.97 89.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.419 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -75.79 -42.54 49.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -59.25 -18.95 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.044 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.642 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.5 mm -49.88 -40.94 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.64 -52.7 64.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 74.0 t -59.2 -20.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -76.14 -53.26 8.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.6 m-85 -58.64 -42.38 88.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.555 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 10.3 m -70.65 -18.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.27 -40.83 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.43 -36.86 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.555 ' CE3' ' HA ' ' A' ' 15' ' ' VAL . 10.6 m0 -72.38 -51.81 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.3 m -55.85 -21.89 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.555 ' CH2' HD22 ' A' ' 13' ' ' LEU . 8.0 t-105 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.699 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.16 -25.92 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.412 ' N ' HG21 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -80.13 -45.18 18.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.439 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 3.4 t -63.51 -15.03 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.555 HD22 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.03 -56.66 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.699 ' CE2' ' CD1' ' A' ' 10' ' ' ILE . 19.6 m-85 -51.88 -38.21 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 30.0 m -79.62 -25.4 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -38.93 69.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 tpt -67.32 -55.23 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.58 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -57.45 -21.67 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 t -91.64 -25.78 18.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' LEU . 70.3 m95 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.57 HG22 ' CZ ' ' A' ' 14' ' ' PHE . 4.5 mm -47.33 -43.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -48.41 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.435 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 45.5 t -63.41 -18.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.29 -55.2 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CZ ' HG22 ' A' ' 10' ' ' ILE . 22.6 m-85 -53.95 -36.28 62.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 19.9 m -81.8 -24.75 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 12' ' ' VAL . . . -79.86 -34.4 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -43.04 92.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.493 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 11.5 m0 -68.32 -50.41 53.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -21.74 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.5 mm -57.28 -25.26 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -49.16 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.447 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 44.6 t -61.82 -14.79 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.566 HD11 ' CH2' ' A' ' 9' ' ' TRP . 1.1 mt -85.04 -47.74 9.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 16.5 m-85 -57.84 -30.59 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 5.5 m -86.77 -21.83 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.78 -37.09 30.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -45.69 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.57 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -62.04 -23.42 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -16.64 24.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -78.85 -24.15 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -79.6 -51.38 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.441 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 98.5 t -59.54 -18.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.58 -54.55 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.2 -47.02 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 33.3 m -68.94 -25.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -44.23 71.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -54.65 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.589 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -57.9 -21.55 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -91.2 -26.03 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.597 1.185 . . . . 0.0 109.918 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -52.32 -37.72 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -41.67 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.4 ' C ' HG21 ' A' ' 15' ' ' VAL . 54.3 t -61.08 -22.09 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.42 HD21 ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -76.34 -52.4 10.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -53.39 -39.19 64.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.4 HG21 ' C ' ' A' ' 12' ' ' VAL . 24.5 m -76.65 -26.02 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -72.45 -42.18 65.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 ttt -70.13 -40.05 75.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -70.5 -23.23 62.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -95.15 -20.88 18.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.2 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 73.5 m95 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.3 pt -91.55 -18.76 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.92 -51.55 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 48.4 t -53.08 -30.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.536 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.45 -55.22 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 10' ' ' ILE . 21.3 m-30 -56.14 -39.94 73.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 15.4 m -79.68 -13.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 12' ' ' VAL . . . -90.8 -34.67 15.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -32.66 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -76.31 -45.92 30.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 108.037 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -62.83 -22.22 66.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.425 ' CD1' HD23 ' A' ' 13' ' ' LEU . 6.1 tp -44.96 -46.77 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.95 -46.51 88.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.416 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 60.6 t -56.56 -21.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -78.32 -49.46 13.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -55.14 -40.68 70.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 4.8 m -79.46 -15.02 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.74 -36.35 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -41.67 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.566 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -63.77 -23.62 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.008 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.64 -16.81 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 179.977 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.457 ' C ' ' N ' ' A' ' 11' ' ' LEU . 49.6 m95 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.561 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 1.4 mm -39.97 -29.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' C ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -66.96 -63.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.428 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -46.08 -33.67 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -60.52 -66.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 22.5 m-85 -39.49 -48.89 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 111.05 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 35.8 m -70.88 -37.96 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -63.02 -34.14 76.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -41.33 59.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -72.14 -39.83 68.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -67.97 -22.83 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.544 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.57 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 3.7 tp -56.39 -45.86 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.86 -50.6 71.59 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 109.238 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 3.4 t -51.49 -23.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -80.19 -53.28 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 20.6 m-85 -62.5 -29.16 70.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 12' ' ' VAL . 4.3 p -89.21 -14.49 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 12' ' ' VAL . . . -83.07 -34.46 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.4 tpp -75.5 -39.9 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.407 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -68.94 -36.93 78.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -63.64 -21.52 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 17.4 mmt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.489 0.185 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t -131.03 159.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -21.58 62.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -81.38 -22.29 38.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.61 56.29 0.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mm -107.0 -21.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.49 32.45 5.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 t -111.85 -22.48 11.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 13' ' ' LEU . 1.6 p-90 -72.44 -39.32 67.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 tp -48.92 -39.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -56.96 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 29.0 t -61.15 -15.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.17 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.549 ' HB2' ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -72.11 -54.1 10.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 22.6 m-85 -56.24 -50.36 71.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.562 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 19.4 m -62.56 -22.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.63 -45.3 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -38.59 82.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 15' ' ' VAL . 9.8 m0 -71.77 -53.96 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -55.01 -22.24 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -45.62 44.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.63 -23.84 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.27 44.52 2.0 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.73 -59.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 0.813 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 15.7 p -103.17 75.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 108.342 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER 166.73 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.312 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -22.73 57.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 62.37 151.39 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.54 22.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -77.72 -56.62 1.1 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.343 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD3' ' CB ' ' A' ' 29' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.544 0.212 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m -114.04 144.91 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -22.21 61.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 t -74.9 -22.19 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 tttt 46.13 83.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.58 -22.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.35 -61.64 2.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.095 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 t -57.17 -21.89 36.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -63.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.033 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.677 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -41.78 -55.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -52.2 -56.37 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t -52.35 -29.73 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' CD1' ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.18 -54.5 14.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.677 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.4 m-85 -56.43 -43.43 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 36.5 t -59.21 -25.66 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -78.82 -53.22 7.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 mtp -79.4 3.89 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.064 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.495 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 22.2 t90 -103.84 -24.38 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.68 -17.57 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 32.8 t70 -83.88 6.39 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 24' ' ' CYS . 41.3 t -110.0 -94.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' N ' ' CG1' ' A' ' 21' ' ' VAL . . . -40.57 -71.34 0.31 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' CD2' ' CG ' ' A' ' 28' ' ' PRO . 8.2 mt -45.03 -27.02 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.241 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -71.01 62.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.17 . . . . 0.0 108.316 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -169.8 -97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.83 -24.18 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 39.06 82.54 0.22 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' CG ' ' CD2' ' A' ' 23' ' ' LEU . 18.6 Cg_endo -74.93 143.49 29.36 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.92 155.21 75.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.429 1.752 . . . . 0.0 111.081 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.466 0.174 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.515 ' CG1' ' N ' ' A' ' 3' ' ' LYS . 1.4 p -79.45 -152.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 1.9 mptt -91.55 -105.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 48.7 m -111.74 -23.97 10.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 4' ' ' SER . 18.8 mtpt 164.13 -30.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.4 mt -83.07 -19.81 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' HA3' ' CG2' ' A' ' 2' ' ' VAL . . . -50.43 -33.1 24.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.47 1.107 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.402 ' N ' HG23 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -81.96 -22.41 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.972 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.564 ' CZ2' HD23 ' A' ' 13' ' ' LEU . 46.8 t-105 -73.53 -62.57 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.569 HG21 ' CE1' ' A' ' 14' ' ' PHE . 2.3 mm -45.04 -38.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.5 -64.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 51.1 t -47.34 -25.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.397 1.061 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.564 HD23 ' CZ2' ' A' ' 9' ' ' TRP . 1.4 mt -77.43 -45.88 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 10' ' ' ILE . 10.4 m-30 -58.8 -32.05 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.065 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 11.6 m -88.81 -22.23 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.58 -34.21 27.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.44 67.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.23 -40.35 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -62.33 -22.55 66.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.67 -40.94 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.79 -22.61 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.79 -59.64 2.76 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.55 61.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER 175.73 64.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 108.313 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 164.21 -30.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.231 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -56.29 -22.84 32.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.5 155.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.612 1.195 . . . . 0.0 110.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 176.18 10.24 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -69.48 154.79 94.54 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.451 1.764 . . . . 0.0 110.939 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.453 0.168 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 3' ' ' LYS . 78.6 t 61.33 -102.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 4' ' ' SER . 7.6 tttt 78.96 75.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.13 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 109.944 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -115.47 47.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.8 mm -61.37 -22.85 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.17 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.89 -48.56 5.42 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.421 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 0.5 OUTLIER -66.68 -19.82 65.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.514 ' CE2' HD22 ' A' ' 13' ' ' LEU . 64.9 t-105 -82.03 -56.04 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.55 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 5.8 tp -55.48 -20.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -49.82 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 26.3 t -64.88 -12.92 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.514 HD22 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.38 -57.46 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 21.7 m-85 -51.15 -37.75 48.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 28.6 m -80.06 -24.23 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.85 -43.34 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 tpt -66.63 -33.77 76.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.61 -49.87 29.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.45 -21.5 66.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -48.23 63.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -52.2 -22.03 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.0 -54.32 37.79 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.484 1.115 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 tp -106.27 59.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 2.8 t -129.96 122.41 28.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.35 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 12.3 tttm 87.45 -11.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.36 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -77.25 -103.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.89 158.92 46.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -141.6 87.63 10.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.524 0.202 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 3' ' ' LYS . 68.1 t 64.05 -102.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.1 OUTLIER 84.33 88.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.02 -26.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.25 63.26 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.5 mm -101.44 -21.37 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.54 -32.38 45.92 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.429 1.081 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -71.94 -22.14 61.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 0.798 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -78.94 -53.2 7.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 107.98 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.56 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 2.8 mm -59.88 -16.17 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.21 -54.57 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.419 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 0.6 OUTLIER -56.78 -18.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mt -83.24 -46.7 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 12.0 m-30 -58.25 -30.16 66.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 3.9 m -90.35 -21.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.94 -34.43 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -31.72 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -77.89 -40.17 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -20.26 66.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.75 -40.58 17.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.429 HG13 ' CB ' ' A' ' 25' ' ' LYS . 44.8 t -69.17 -23.38 26.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.603 1.189 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.38 -28.16 4.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.45 76.12 1.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 0.754 . . . . 0.0 109.187 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.12 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.267 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' CB ' HG13 ' A' ' 21' ' ' VAL . 6.5 ttmt -103.39 -23.33 13.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -103.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.37 93.51 36.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.206 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.91 90.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.511 0.196 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 68.9 t 60.02 -103.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER 163.53 -29.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 39.1 m -105.17 -90.55 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 4' ' ' SER . 2.0 mttt 169.83 61.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.0 mt -77.73 -22.95 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.62 -24.37 11.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.571 1.169 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -19.45 63.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 0.731 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LEU . 52.3 m95 -65.13 -63.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 108.065 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.565 HG22 ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mm -41.36 -44.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -54.97 22.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 54.6 t -57.65 -17.86 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' TRP . 2.2 mt -83.33 -46.3 12.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 10' ' ' ILE . 9.7 m-30 -58.51 -29.65 66.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.42 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 3.8 m -91.17 -20.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.24 -34.29 22.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.6 ttp -70.61 -33.31 70.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.427 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -79.05 -38.91 35.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -65.23 -18.6 65.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 0.0 110.068 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -83.71 -42.67 16.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.32 -22.7 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.97 -53.72 44.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -99.68 57.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.319 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.3 t -127.21 96.71 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 108.317 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.7 58.99 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.87 87.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.91 94.92 35.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.97 21.43 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 88.85 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 0.0 110.95 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.488 0.185 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t 64.92 167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -132.1 72.81 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 161.22 -27.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.73 71.08 0.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.2 mt -119.77 -103.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.37 -29.86 75.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.4 1.062 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.2 m -47.57 -24.3 0.84 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 0.735 . . . . 0.0 110.089 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -68.36 -71.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 2.3 tp -40.73 -31.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.417 ' N ' HG22 ' A' ' 10' ' ' ILE . 2.4 mm? -68.39 -52.98 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 3.9 t -49.7 -31.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.56 -54.67 7.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 23.0 m-85 -57.96 -36.77 73.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 12' ' ' VAL . 10.0 p -83.53 -9.92 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 12' ' ' VAL . . . -90.99 -40.64 11.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 ttm -71.94 -30.1 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -73.99 -47.04 39.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -22.37 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -45.61 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.05 -23.18 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.27 -54.99 32.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mp -130.25 74.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -103.5 -21.73 13.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.28 47.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -98.58 -18.53 18.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -47.27 -53.1 30.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.0 131.52 14.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.11 155.23 30.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.484 0.183 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.451 ' CG1' ' C ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -40.19 -37.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 tptt 55.64 46.96 21.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 10.6 t 171.48 -33.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 4' ' ' SER . 30.2 tttp 86.43 -9.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 6.5 mm -80.02 -23.28 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' C ' ' CG1' ' A' ' 2' ' ' VAL . . . -90.08 13.34 65.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.61 1.193 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -109.53 -22.45 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 0.806 . . . . 0.0 110.002 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.432 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 3.5 p-90 -80.36 -46.74 15.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.512 HD13 ' CZ ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -51.88 -35.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' N ' HG23 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -72.9 -45.07 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 41.6 t -66.42 -16.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -73.04 -53.99 9.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 20.3 m-85 -53.38 -48.5 68.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 28.8 m -68.94 -17.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.59 -34.33 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.02 -34.19 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.562 ' CZ2' ' HB3' ' A' ' 14' ' ' PHE . 9.6 m0 -75.66 -50.46 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.988 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -16.99 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.82 -40.45 18.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 t -64.62 -23.85 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 38.38 46.92 2.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 42.7 58.8 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 m -95.97 -100.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.275 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.86 57.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -89.48 -22.71 22.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 52.94 78.92 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 142.81 28.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.2 165.44 36.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.943 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.57 0.224 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.97 168.0 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.37 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -108.2 -15.34 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.08 -26.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -81.98 53.61 2.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 mt -73.16 -102.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.75 -32.1 10.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -23.1 65.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.559 ' CZ2' HD23 ' A' ' 13' ' ' LEU . 11.5 t-105 -87.2 -40.9 14.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.663 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.0 mm -61.32 -31.16 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -51.68 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 44.6 t -59.73 -19.37 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.559 HD23 ' CZ2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -77.7 -54.87 5.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.663 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.1 m-85 -54.04 -36.94 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 27.1 m -81.59 -24.48 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 12' ' ' VAL . . . -79.78 -34.36 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -33.94 68.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.535 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -81.18 -23.78 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.37 65.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -97.01 -34.24 11.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.56 -22.34 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.75 -83.39 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 pp -43.75 -30.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 m -85.47 73.66 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.58 -36.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -69.4 -104.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' NE ' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -39.5 155.49 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HD2' ' NE ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -75.01 138.8 23.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.771 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.39 156.09 35.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.528 0.204 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.06 -168.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -126.0 74.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 165.44 -29.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.038 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.42 55.07 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mt -50.95 -22.83 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.34 -56.42 20.09 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -17.19 64.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 0.794 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.405 ' NE1' HD11 ' A' ' 13' ' ' LEU . 55.1 t-105 -71.82 -70.4 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.647 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -46.97 -38.12 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.537 1.148 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -51.93 50.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.423 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 4.3 t -61.72 -15.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD11 ' NE1' ' A' ' 9' ' ' TRP . 2.0 mt -83.11 -48.33 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.376 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 19.3 m-85 -56.56 -31.71 64.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 4.4 m -88.21 -23.27 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.38 -34.39 31.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.089 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -37.2 60.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 107.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -72.56 -22.38 61.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.936 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.52 -49.06 58.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.9 t -52.49 -23.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.5 -37.76 1.9 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' ARG . 3.5 pp -40.94 -48.24 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER 48.63 86.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 108.311 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 90.34 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER 166.64 -31.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 23' ' ' LEU . 7.7 ptm180 -165.74 149.65 7.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -77.57 -56.46 1.15 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 29' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.574 1.828 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.479 0.18 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 3' ' ' LYS . 1.4 p -155.54 -152.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.484 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -155.02 81.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.352 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 50.1 m -168.94 -41.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 4' ' ' SER . 0.5 OUTLIER 164.38 -30.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.4 mm -67.21 -23.14 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.78 27.77 10.43 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -111.7 -20.86 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.94 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.561 ' CE3' HD22 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -77.24 -28.83 53.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 tp -58.65 -27.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.18 29.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.9 t -67.6 -12.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.561 HD22 ' CE3' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -81.59 -55.32 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -53.74 -35.01 60.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -80.88 -26.36 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.61 -40.86 63.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -40.76 83.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.463 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -68.21 -46.42 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -62.85 -22.43 66.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.9 -47.1 60.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.4 t -54.85 -22.94 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.45 -56.45 11.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.03 81.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 t -95.48 -21.83 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.364 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -21.26 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -51.22 -22.65 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -141.52 156.46 66.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 68.14 5.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.432 1.754 . . . . 0.0 111.045 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.6 160.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.574 0.226 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.6 m -40.55 -47.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.1 OUTLIER 64.08 73.37 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.391 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.28 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.75 51.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -55.88 -23.93 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.21 -30.72 71.38 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -82.87 -22.33 34.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 0.0 110.045 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.515 ' CE2' HD22 ' A' ' 13' ' ' LEU . 26.5 t-105 -82.57 -50.27 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.492 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 6.4 tt -55.49 -29.71 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -51.83 25.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 17.1 t -61.29 -15.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.515 HD22 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -79.7 -55.03 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.212 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.492 ' CZ ' HG12 ' A' ' 10' ' ' ILE . 23.8 m-85 -53.69 -36.08 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 26.2 m -81.0 -25.93 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.48 -39.42 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -64.57 -37.97 89.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.419 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -75.79 -42.54 49.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -59.25 -18.95 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.044 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.84 -38.67 14.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -71.75 -23.48 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.26 39.63 2.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.165 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -143.15 -50.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 27.9 p -113.37 70.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.255 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 164.05 -29.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -105.63 53.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.221 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -65.34 -53.12 41.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.95 -47.52 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.81 89.21 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 110.996 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' VAL . 2.1 ttm . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.515 0.198 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.523 ' CG2' ' N ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -45.0 -93.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.523 ' N ' ' CG2' ' A' ' 2' ' ' VAL . 0.5 OUTLIER 50.4 89.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.367 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.12 -27.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 6.5 mmtp -148.87 87.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -40.44 -82.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' ILE . . . -40.25 -64.21 1.18 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.426 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . 4.5 t -40.79 -30.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 0.794 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -73.83 -54.06 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 108.035 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.642 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.5 mm -49.88 -40.94 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.64 -52.7 64.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.238 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 74.0 t -59.2 -20.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.545 ' HB2' ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -76.14 -53.26 8.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.6 m-85 -58.64 -42.38 88.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.555 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 10.3 m -70.65 -18.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -85.27 -40.83 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.43 -36.86 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.555 ' CE3' ' HA ' ' A' ' 15' ' ' VAL . 10.6 m0 -72.38 -51.81 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.3 m -55.85 -21.89 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.53 -44.0 30.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.0 t -63.38 -23.76 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.58 44.51 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.68 -46.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.23 -21.86 63.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 108.257 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.42 44.23 2.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' ARG . 19.6 tptt -128.98 -103.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 11.6 ttm180 -38.36 99.06 0.18 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.05 136.51 20.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -68.4 -53.11 18.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 2.6 t -127.02 161.61 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER 166.89 -31.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.24 -20.86 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -88.92 52.98 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.422 ' CG2' ' N ' ' A' ' 7' ' ' GLY . 67.5 mt -89.97 -103.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' N ' ' CG2' ' A' ' 6' ' ' ILE . . . -62.4 -26.08 67.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -19.34 61.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.555 ' CH2' HD22 ' A' ' 13' ' ' LEU . 8.0 t-105 -81.01 -53.14 6.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 107.936 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.699 ' CD1' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.16 -25.92 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' N ' HG21 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -80.13 -45.18 18.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 3.4 t -63.51 -15.03 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.555 HD22 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.03 -56.66 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.699 ' CE2' ' CD1' ' A' ' 10' ' ' ILE . 19.6 m-85 -51.88 -38.21 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 30.0 m -79.62 -25.4 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -38.93 69.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 tpt -67.32 -55.23 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.58 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -57.45 -21.67 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 t -91.64 -25.78 18.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -44.36 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 m -58.49 -40.29 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.78 42.82 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.19 -61.54 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.7 m -51.24 108.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 tttt 68.12 43.65 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -16.01 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.31 155.48 92.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 59.2 159.97 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.439 0.162 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.2 t -116.26 170.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -103.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.7 m -87.3 -21.02 26.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.0 tttp 57.95 76.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.423 ' CG1' ' N ' ' A' ' 7' ' ' GLY . 7.1 pt -65.57 -56.7 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' N ' ' CG1' ' A' ' 6' ' ' ILE . . . -45.44 -32.26 3.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -20.61 6.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' LEU . 70.3 m95 -74.26 -51.76 14.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.57 HG22 ' CZ ' ' A' ' 14' ' ' PHE . 4.5 mm -47.33 -43.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -48.41 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.435 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 45.5 t -63.41 -18.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.29 -55.2 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CZ ' HG22 ' A' ' 10' ' ' ILE . 22.6 m-85 -53.95 -36.28 62.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 19.9 m -81.8 -24.75 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 12' ' ' VAL . . . -79.86 -34.4 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -43.04 92.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.493 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 11.5 m0 -68.32 -50.41 53.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -21.74 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -84.25 -40.35 18.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -68.93 -23.92 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.21 49.49 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tp -169.5 -43.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.31 -21.52 9.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 108.331 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.35 46.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 43.27 78.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.61 84.0 10.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 168.43 24.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.977 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -153.37 75.09 6.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.514 0.197 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.1 t -81.48 -20.6 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -49.12 -24.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.89 -21.89 11.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -79.55 -19.73 48.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -44.85 -90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 52.32 4.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -148.16 -45.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.982 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -70.74 -53.27 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 108.037 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.5 mm -57.28 -25.26 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.87 -49.16 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.447 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 44.6 t -61.82 -14.79 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.566 HD11 ' CH2' ' A' ' 9' ' ' TRP . 1.1 mt -85.04 -47.74 9.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 16.5 m-85 -57.84 -30.59 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 5.5 m -86.77 -21.83 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.78 -37.09 30.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.91 -45.69 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.57 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -62.04 -23.42 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -16.64 24.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.5 t70 -115.98 20.69 14.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 20' ' ' ASP . 65.5 t -155.25 -45.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.359 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.83 -72.51 0.17 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.19 62.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.78 25.7 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 108.312 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.66 20.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -97.75 -104.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER 78.54 94.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 84.44 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.3 173.49 2.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.496 0.189 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.53 ' CG1' ' N ' ' A' ' 3' ' ' LYS . 1.4 p -109.98 -152.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.53 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -142.04 72.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 159.99 -26.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 pttp 40.8 72.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 pt -106.77 -102.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' O ' ' CG1' ' A' ' 10' ' ' ILE . . . -61.41 -12.98 34.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.425 1.078 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.55 -14.58 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -98.48 -19.17 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.513 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -78.85 -24.15 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -79.6 -51.38 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.441 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 98.5 t -59.54 -18.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.58 -54.55 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.2 -47.02 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 33.3 m -68.94 -25.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.57 -44.23 71.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -54.65 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.589 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -57.9 -21.55 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -91.2 -26.03 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.597 1.185 . . . . 0.0 109.918 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -77.22 -44.5 29.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 m -58.58 -40.27 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -40.21 -52.53 3.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tp -40.98 -57.98 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 m -92.88 42.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 108.278 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 179.88 38.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -87.22 -22.72 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -38.54 99.17 0.19 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 59.29 5.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -144.7 156.82 56.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.222 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.51 0.195 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 3' ' ' LYS . 1.4 p -174.81 -152.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 2.4 mttt -171.77 -97.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -18.25 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.7 63.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mt -57.82 -17.8 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.51 33.86 4.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.9 m -111.01 -22.57 11.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.778 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -76.5 -34.46 58.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -52.32 -37.72 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -41.67 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.4 ' C ' HG21 ' A' ' 15' ' ' VAL . 54.3 t -61.08 -22.09 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 HD21 ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -76.34 -52.4 10.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -53.39 -39.19 64.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.4 HG21 ' C ' ' A' ' 12' ' ' VAL . 24.5 m -76.65 -26.02 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -72.45 -42.18 65.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.451 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 1.7 ttt -70.13 -40.05 75.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -70.5 -23.23 62.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -95.15 -20.88 18.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.2 m-20 -86.79 -40.45 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 17' ' ' MET . 12.5 m -41.44 -48.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.74 51.23 58.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.167 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 56.81 71.06 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -57.38 -21.7 37.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -72.59 -17.74 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.37 53.22 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 63.42 122.36 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -174.62 2.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.435 1.755 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -42.27 157.6 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.487 0.184 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' A' ' 3' ' ' LYS . 1.4 p -109.68 -152.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 0.2 OUTLIER 164.27 -30.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m -81.24 -22.25 38.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mttm 62.25 53.92 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 mt -94.73 -20.79 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' CA ' HG12 ' A' ' 10' ' ' ILE . . . -88.29 19.47 35.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.562 1.164 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -24.58 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 0.79 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -98.43 -11.46 22.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.3 pt -91.55 -18.76 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -80.92 -51.55 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 48.4 t -53.08 -30.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.536 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.45 -55.22 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 10' ' ' ILE . 21.3 m-30 -56.14 -39.94 73.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 15.4 m -79.68 -13.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 12' ' ' VAL . . . -90.8 -34.67 15.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -32.66 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -76.31 -45.92 30.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 108.037 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -62.83 -22.22 66.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.91 -42.63 48.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.1 -22.59 24.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.14 -77.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.6 87.13 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -151.37 98.74 2.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 108.268 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.64 29.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 24' ' ' CYS . 2.0 tptt -138.91 -103.31 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 60.53 82.34 0.23 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 8.7 tttp -136.57 142.11 38.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.431 1.753 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.491 0.186 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.404 ' CG2' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -145.03 157.55 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 2' ' ' VAL . 5.1 ttmt -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -170.33 126.26 0.78 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.498 1.124 . . . . 0.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -15.87 55.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.403 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.6 mt -81.33 -22.49 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' CG2' ' A' ' 10' ' ' ILE . . . -89.19 -47.69 4.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -22.55 1.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 0.803 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -32.28 51.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 108.004 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.425 ' CD1' HD23 ' A' ' 13' ' ' LEU . 6.1 tp -44.96 -46.77 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.95 -46.51 88.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.416 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 60.6 t -56.56 -21.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -78.32 -49.46 13.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -55.14 -40.68 70.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 4.8 m -79.46 -15.02 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.74 -36.35 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -41.67 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.566 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -63.77 -23.62 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.008 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.64 -16.81 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -97.58 1.08 48.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.8 t -110.15 -23.27 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.58 39.83 2.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.22 -59.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -101.32 71.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 16.6 tttp 164.04 -29.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 56.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -110.25 150.05 40.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.34 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -70.77 -53.71 8.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.473 0.178 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t 56.72 167.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.52 1.137 . . . . 0.0 109.223 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -128.35 61.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 t 171.25 -32.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.37 81.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.0 mm -78.76 -19.38 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.69 26.34 9.66 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -111.55 -21.95 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 0.701 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.457 ' C ' ' N ' ' A' ' 11' ' ' LEU . 49.6 m95 -66.02 -62.06 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.561 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 1.4 mm -39.97 -29.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' C ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -66.96 -63.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.428 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 0.3 OUTLIER -46.08 -33.67 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' ALA . 0.5 OUTLIER -60.52 -66.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 22.5 m-85 -39.49 -48.89 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 111.05 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.428 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 35.8 m -70.88 -37.96 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -63.02 -34.14 76.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -41.33 59.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -72.14 -39.83 68.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -67.97 -22.83 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -41.14 21.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.62 -22.45 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.2 38.98 2.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.79 37.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 0.794 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p -107.34 -21.81 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.73 -15.65 13.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -87.93 -18.06 29.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -77.26 148.23 77.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.13 108.29 2.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.396 1.735 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HG2' ' CD ' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -83.08 163.47 50.61 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.408 ' CD ' ' HG2' ' A' ' 29' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.487 1.783 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.528 0.204 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.456 ' CG2' HG12 ' A' ' 6' ' ' ILE . 3.9 m -130.72 171.47 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.81 -21.67 20.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 16.0 m -72.92 -25.7 61.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 4' ' ' SER . 10.9 tttt 84.39 8.37 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.456 HG12 ' CG2' ' A' ' 2' ' ' VAL . 12.7 mm 70.16 -57.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 5' ' ' LYS . . . -54.52 -18.37 10.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 4' ' ' SER . 8.3 t -92.06 -23.18 19.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.544 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -80.48 -43.0 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 108.024 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.57 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 3.7 tp -56.39 -45.86 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.86 -50.6 71.59 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 109.238 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 3.4 t -51.49 -23.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -80.19 -53.28 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 20.6 m-85 -62.5 -29.16 70.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 12' ' ' VAL . 4.3 p -89.21 -14.49 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 12' ' ' VAL . . . -83.07 -34.46 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.4 tpp -75.5 -39.9 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.407 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -68.94 -36.93 78.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -63.64 -21.52 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -40.26 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.9 t -69.29 -23.93 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.237 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.08 48.42 1.0 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tp -167.59 -54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.255 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.97 78.24 4.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 108.255 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -175.06 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -99.27 -99.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.487 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER 168.27 -54.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -74.97 145.15 31.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -68.67 -54.8 12.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 13' ' ' LEU . 1.6 p-90 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.414 HD12 HD23 ' A' ' 13' ' ' LEU . 1.1 tp -48.92 -39.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -56.96 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.581 ' HA ' HG22 ' A' ' 15' ' ' VAL . 29.0 t -61.15 -15.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.17 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.757 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.11 -54.1 10.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 22.6 m-85 -56.24 -50.36 71.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 12' ' ' VAL . 19.4 m -62.56 -22.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.63 -45.3 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -38.59 82.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.562 ' CZ2' ' HB3' ' A' ' 14' ' ' PHE . 9.8 m0 -71.77 -53.96 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -55.01 -22.24 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.677 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -41.78 -55.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.2 mm? -52.2 -56.37 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t -52.35 -29.73 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.18 -54.5 14.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.677 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.4 m-85 -56.43 -43.43 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 11' ' ' LEU . 36.5 t -59.21 -25.66 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -78.82 -53.22 7.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 mtp -79.4 3.89 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.064 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.495 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 22.2 t90 -103.84 -24.38 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.68 -17.57 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 32.8 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.55 ' CZ2' HD21 ' A' ' 13' ' ' LEU . 46.8 t-105 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 14' ' ' PHE . 2.3 mm -45.04 -38.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -63.5 -64.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 51.1 t -47.34 -25.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.397 1.061 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD21 ' CZ2' ' A' ' 9' ' ' TRP . 1.4 mt -77.43 -45.88 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 10' ' ' ILE . 10.4 m-30 -58.8 -32.05 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.065 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 11.6 m -88.81 -22.23 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -82.58 -34.21 27.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.44 67.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.23 -40.35 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -62.33 -22.55 66.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.513 ' CE2' HD21 ' A' ' 13' ' ' LEU . 64.9 t-105 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.549 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 5.8 tp -55.48 -20.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -49.82 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.565 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 26.3 t -64.88 -12.92 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.38 -57.46 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 21.7 m-85 -51.15 -37.75 48.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 28.6 m -80.06 -24.23 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -78.85 -43.34 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 tpt -66.63 -33.77 76.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.61 -49.87 29.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.45 -21.5 66.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.457 ' O ' HG12 ' A' ' 12' ' ' VAL . 1.8 m95 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.588 HG23 ' CE1' ' A' ' 14' ' ' PHE . 2.8 mm -59.88 -16.17 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.682 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -82.21 -54.57 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG13 HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.78 -18.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.549 HD23 HG13 ' A' ' 12' ' ' VAL . 2.6 mt -83.24 -46.7 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE1' HG23 ' A' ' 10' ' ' ILE . 12.0 m-30 -58.25 -30.16 66.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 11' ' ' LEU . 3.9 m -90.35 -21.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -83.94 -34.43 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -31.72 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -77.89 -40.17 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -20.26 66.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LEU . 52.3 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.576 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mm -41.36 -44.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.665 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -65.02 -54.97 22.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 54.6 t -57.65 -17.86 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' TRP . 2.2 mt -83.33 -46.3 12.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.576 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 9.7 m-30 -58.51 -29.65 66.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 11' ' ' LEU . 3.8 m -91.17 -20.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -85.24 -34.29 22.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.6 ttp -70.61 -33.31 70.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.427 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -79.05 -38.91 35.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -65.23 -18.6 65.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 0.0 110.068 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 2.3 tp -40.73 -31.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.4 mm? -68.39 -52.98 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.9 t -49.7 -31.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.56 -54.67 7.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 23.0 m-85 -57.96 -36.77 73.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 12' ' ' VAL . 10.0 p -83.53 -9.92 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -90.99 -40.64 11.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 ttm -71.94 -30.1 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -73.99 -47.04 39.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -22.37 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.426 ' CG ' ' N ' ' A' ' 10' ' ' ILE . 3.5 p-90 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.773 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -51.88 -35.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -45.07 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 41.6 t -66.42 -16.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -73.04 -53.99 9.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 20.3 m-85 -53.38 -48.5 68.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 28.8 m -68.94 -17.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -87.59 -34.33 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.02 -34.19 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 14' ' ' PHE . 9.6 m0 -75.66 -50.46 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.988 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -16.99 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.565 ' CZ2' HD21 ' A' ' 13' ' ' LEU . 11.5 t-105 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.663 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.0 mm -61.32 -31.16 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -51.68 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.584 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 44.6 t -59.73 -19.37 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.565 HD21 ' CZ2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -77.7 -54.87 5.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.663 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.1 m-85 -54.04 -36.94 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 27.1 m -81.59 -24.48 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.78 -34.36 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -33.94 68.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.535 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -81.18 -23.78 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.37 65.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.574 ' CE2' HD11 ' A' ' 13' ' ' LEU . 55.1 t-105 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.647 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -46.97 -38.12 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.537 1.148 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -66.6 -51.93 50.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 4.3 t -61.72 -15.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 9' ' ' TRP . 2.0 mt -83.11 -48.33 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.376 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 19.3 m-85 -56.56 -31.71 64.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 11' ' ' LEU . 4.4 m -88.21 -23.27 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -81.38 -34.39 31.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.089 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -37.2 60.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 107.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -72.56 -22.38 61.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.936 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.228 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 tp -58.65 -27.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.18 29.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 74.9 t -67.6 -12.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.613 HD11 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -81.59 -55.32 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -53.74 -35.01 60.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 12' ' ' VAL . 20.0 m -80.88 -26.36 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -73.61 -40.86 63.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -40.76 83.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -68.21 -46.42 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -62.85 -22.43 66.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.513 ' CE2' HD21 ' A' ' 13' ' ' LEU . 26.5 t-105 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.491 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 6.4 tt -55.49 -29.71 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -51.83 25.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 17.1 t -61.29 -15.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -79.7 -55.03 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.212 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CZ ' HG12 ' A' ' 10' ' ' ILE . 23.8 m-85 -53.69 -36.08 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 26.2 m -81.0 -25.93 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -78.48 -39.42 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -64.57 -37.97 89.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.419 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -75.79 -42.54 49.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -59.25 -18.95 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.044 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.902 HD13 HD23 ' A' ' 13' ' ' LEU . 2.5 mm -49.88 -40.94 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.5 mm? -60.64 -52.7 64.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.574 ' HA ' HG22 ' A' ' 15' ' ' VAL . 74.0 t -59.2 -20.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.902 HD23 HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -76.14 -53.26 8.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.6 m-85 -58.64 -42.38 88.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 12' ' ' VAL . 10.3 m -70.65 -18.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -85.27 -40.83 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.43 -36.86 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE3' ' HA ' ' A' ' 15' ' ' VAL . 10.6 m0 -72.38 -51.81 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.3 m -55.85 -21.89 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.56 ' CH2' HD21 ' A' ' 13' ' ' LEU . 8.0 t-105 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.851 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -55.16 -25.92 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.13 -45.18 18.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.591 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.4 t -63.51 -15.03 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.56 HD21 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.03 -56.66 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 19.6 m-85 -51.88 -38.21 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 12' ' ' VAL . 30.0 m -79.62 -25.4 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -71.89 -38.93 69.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 tpt -67.32 -55.23 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.58 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -57.45 -21.67 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 t -91.64 -25.78 18.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' LEU . 70.3 m95 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.568 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 4.5 mm -47.33 -43.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -48.41 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 45.5 t -63.41 -18.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.29 -55.2 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 22.6 m-85 -53.95 -36.28 62.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 12' ' ' VAL . 19.9 m -81.8 -24.75 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.86 -34.4 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -43.04 92.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.493 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 11.5 m0 -68.32 -50.41 53.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -21.74 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 1.065 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.5 mm -57.28 -25.26 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -76.87 -49.16 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 44.6 t -61.82 -14.79 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.065 HD11 ' CZ2' ' A' ' 9' ' ' TRP . 1.1 mt -85.04 -47.74 9.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 16.5 m-85 -57.84 -30.59 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 11' ' ' LEU . 5.5 m -86.77 -21.83 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.78 -37.09 30.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -45.69 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.57 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -62.04 -23.42 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -16.64 24.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -78.85 -24.15 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.404 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -79.6 -51.38 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 15' ' ' VAL . 98.5 t -59.54 -18.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.58 -54.55 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.2 -47.02 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 12' ' ' VAL . 33.3 m -68.94 -25.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -69.57 -44.23 71.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -54.65 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.589 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -57.9 -21.55 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -91.2 -26.03 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.597 1.185 . . . . 0.0 109.918 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.548 ' CH2' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -52.32 -37.72 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -41.67 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' A' ' 15' ' ' VAL . 54.3 t -61.08 -22.09 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.548 HD11 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -76.34 -52.4 10.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -53.39 -39.19 64.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 12' ' ' VAL . 24.5 m -76.65 -26.02 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -72.45 -42.18 65.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 ttt -70.13 -40.05 75.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -70.5 -23.23 62.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -95.15 -20.88 18.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.2 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 73.5 m95 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.3 pt -91.55 -18.76 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.1 mm? -80.92 -51.55 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.663 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 48.4 t -53.08 -30.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.558 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.45 -55.22 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 10' ' ' ILE . 21.3 m-30 -56.14 -39.94 73.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 12' ' ' VAL . 15.4 m -79.68 -13.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -90.8 -34.67 15.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -32.66 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -76.31 -45.92 30.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 108.037 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -62.83 -22.22 66.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.828 HD12 HD23 ' A' ' 13' ' ' LEU . 6.1 tp -44.96 -46.77 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 15' ' ' VAL . 1.3 mm? -61.95 -46.51 88.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 60.6 t -56.56 -21.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.828 HD23 HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -78.32 -49.46 13.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -55.14 -40.68 70.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 11' ' ' LEU . 4.8 m -79.46 -15.02 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -88.74 -36.35 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -41.67 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.566 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -63.77 -23.62 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.008 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.64 -16.81 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 179.977 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.481 ' O ' HD23 ' A' ' 13' ' ' LEU . 49.6 m95 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.569 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 1.4 mm -39.97 -29.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' C ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -66.96 -63.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.536 HG12 HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -46.08 -33.67 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.536 HD23 HG12 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -60.52 -66.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 22.5 m-85 -39.49 -48.89 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 111.05 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 35.8 m -70.88 -37.96 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -63.02 -34.14 76.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -41.33 59.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -72.14 -39.83 68.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -67.97 -22.83 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.544 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 3.7 tp -56.39 -45.86 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.533 HD22 HG23 ' A' ' 10' ' ' ILE . 3.4 mm? -61.86 -50.6 71.59 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.768 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.4 t -51.49 -23.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -80.19 -53.28 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 20.6 m-85 -62.5 -29.16 70.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 12' ' ' VAL . 4.3 p -89.21 -14.49 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -83.07 -34.46 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.4 tpp -75.5 -39.9 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.589 ' CZ3' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -68.94 -36.93 78.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -63.64 -21.52 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 17.4 mmt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.489 0.185 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t -131.03 159.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -21.58 62.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -81.38 -22.29 38.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.61 56.29 0.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mm -107.0 -21.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.49 32.45 5.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 t -111.85 -22.48 11.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 13' ' ' LEU . 1.6 p-90 -72.44 -39.32 67.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.414 HD12 HD23 ' A' ' 13' ' ' LEU . 1.1 tp -48.92 -39.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -56.96 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.581 ' HA ' HG22 ' A' ' 15' ' ' VAL . 29.0 t -61.15 -15.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.17 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.757 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.11 -54.1 10.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 22.6 m-85 -56.24 -50.36 71.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 12' ' ' VAL . 19.4 m -62.56 -22.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.63 -45.3 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -38.59 82.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.562 ' CZ2' ' HB3' ' A' ' 14' ' ' PHE . 9.8 m0 -71.77 -53.96 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -55.01 -22.24 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -45.62 44.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.63 -23.84 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.27 44.52 2.0 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.73 -59.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 0.813 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 15.7 p -103.17 75.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 108.342 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER 166.73 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.312 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -22.73 57.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 62.37 151.39 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.54 22.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -77.72 -56.62 1.1 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.343 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD3' ' CB ' ' A' ' 29' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.544 0.212 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.437 HG23 ' H ' ' A' ' 5' ' ' LYS . 33.6 m -114.04 144.91 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -22.21 61.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 t -74.9 -22.19 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' H ' HG23 ' A' ' 2' ' ' VAL . 3.1 tttt 46.13 83.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.58 -22.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.35 -61.64 2.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.095 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.2 t -57.17 -21.89 36.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.02 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -63.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.033 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.677 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -41.78 -55.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.2 mm? -52.2 -56.37 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 8' ' ' SER . 45.1 t -52.35 -29.73 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.18 -54.5 14.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.677 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.4 m-85 -56.43 -43.43 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 11' ' ' LEU . 36.5 t -59.21 -25.66 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -78.82 -53.22 7.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 mtp -79.4 3.89 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.064 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.495 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 22.2 t90 -103.84 -24.38 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.68 -17.57 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 32.8 t70 -83.88 6.39 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.649 HG12 ' N ' ' A' ' 22' ' ' GLY . 41.3 t -110.0 -94.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.649 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -40.57 -71.34 0.31 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' CD2' ' CG ' ' A' ' 28' ' ' PRO . 8.2 mt -45.03 -27.02 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.241 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -71.01 62.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.17 . . . . 0.0 108.316 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -169.8 -97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.83 -24.18 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 39.06 82.54 0.22 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' CG ' ' CD2' ' A' ' 23' ' ' LEU . 18.6 Cg_endo -74.93 143.49 29.36 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.92 155.21 75.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.429 1.752 . . . . 0.0 111.081 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.466 0.174 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.856 HG22 ' HA3' ' A' ' 7' ' ' GLY . 1.4 p -79.45 -152.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.777 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.9 mptt -91.55 -105.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 48.7 m -111.74 -23.97 10.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 4' ' ' SER . 18.8 mtpt 164.13 -30.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.4 mt -83.07 -19.81 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.856 ' HA3' HG22 ' A' ' 2' ' ' VAL . . . -50.43 -33.1 24.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.47 1.107 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.505 ' N ' HG21 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -81.96 -22.41 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.972 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.55 ' CZ2' HD21 ' A' ' 13' ' ' LEU . 46.8 t-105 -73.53 -62.57 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 14' ' ' PHE . 2.3 mm -45.04 -38.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -63.5 -64.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 51.1 t -47.34 -25.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.397 1.061 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD21 ' CZ2' ' A' ' 9' ' ' TRP . 1.4 mt -77.43 -45.88 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 10' ' ' ILE . 10.4 m-30 -58.8 -32.05 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.065 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 11.6 m -88.81 -22.23 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -82.58 -34.21 27.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.44 67.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.23 -40.35 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -62.33 -22.55 66.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.67 -40.94 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.79 -22.61 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.79 -59.64 2.76 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -102.55 61.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER 175.73 64.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 108.313 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 164.21 -30.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.231 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -56.29 -22.84 32.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.5 155.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.612 1.195 . . . . 0.0 110.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 176.18 10.24 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -69.48 154.79 94.54 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.451 1.764 . . . . 0.0 110.939 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.453 0.168 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 3' ' ' LYS . 78.6 t 61.33 -102.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.637 ' N ' HG12 ' A' ' 2' ' ' VAL . 7.6 tttt 78.96 75.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.13 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 109.944 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -115.47 47.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.467 HD13 ' HA ' ' A' ' 6' ' ' ILE . 20.8 mm -61.37 -22.85 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.17 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.458 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -82.89 -48.56 5.42 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.937 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -66.68 -19.82 65.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.513 ' CE2' HD21 ' A' ' 13' ' ' LEU . 64.9 t-105 -82.03 -56.04 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.549 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 5.8 tp -55.48 -20.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -49.82 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 8' ' ' SER . 26.3 t -64.88 -12.92 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.38 -57.46 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 21.7 m-85 -51.15 -37.75 48.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 28.6 m -80.06 -24.23 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -78.85 -43.34 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 tpt -66.63 -33.77 76.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.61 -49.87 29.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.45 -21.5 66.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -48.23 63.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -52.2 -22.03 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.0 -54.32 37.79 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.484 1.115 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 tp -106.27 59.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 2.8 t -129.96 122.41 28.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.35 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 12.3 tttm 87.45 -11.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.36 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -77.25 -103.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.89 158.92 46.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -141.6 87.63 10.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.524 0.202 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.653 HG12 ' N ' ' A' ' 3' ' ' LYS . 68.1 t 64.05 -102.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.653 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 84.33 88.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.02 -26.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.25 63.26 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.5 mm -101.44 -21.37 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.54 -32.38 45.92 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.429 1.081 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -71.94 -22.14 61.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 0.798 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.457 ' O ' HG12 ' A' ' 12' ' ' VAL . 1.8 m95 -78.94 -53.2 7.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 107.98 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.588 HG23 ' CE1' ' A' ' 14' ' ' PHE . 2.8 mm -59.88 -16.17 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.682 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -82.21 -54.57 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG13 HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.78 -18.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.549 HD23 HG13 ' A' ' 12' ' ' VAL . 2.6 mt -83.24 -46.7 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE1' HG23 ' A' ' 10' ' ' ILE . 12.0 m-30 -58.25 -30.16 66.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 11' ' ' LEU . 3.9 m -90.35 -21.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -83.94 -34.43 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -31.72 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -77.89 -40.17 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -20.26 66.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.75 -40.58 17.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.417 HG13 ' HB2' ' A' ' 25' ' ' LYS . 44.8 t -69.17 -23.38 26.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.603 1.189 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.38 -28.16 4.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.45 76.12 1.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 0.754 . . . . 0.0 109.187 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.12 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.267 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HB2' HG13 ' A' ' 21' ' ' VAL . 6.5 ttmt -103.39 -23.33 13.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -103.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.37 93.51 36.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.206 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.91 90.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.511 0.196 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.661 HG12 ' H ' ' A' ' 4' ' ' SER . 68.9 t 60.02 -103.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.643 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 163.53 -29.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.661 ' H ' HG12 ' A' ' 2' ' ' VAL . 39.1 m -105.17 -90.55 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 4' ' ' SER . 2.0 mttt 169.83 61.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.0 mt -77.73 -22.95 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.62 -24.37 11.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.571 1.169 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.587 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -62.42 -19.45 63.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 0.731 . . . . 0.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LEU . 52.3 m95 -65.13 -63.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 108.065 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.576 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mm -41.36 -44.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.665 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -65.02 -54.97 22.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 8' ' ' SER . 54.6 t -57.65 -17.86 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' TRP . 2.2 mt -83.33 -46.3 12.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.576 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 9.7 m-30 -58.51 -29.65 66.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 11' ' ' LEU . 3.8 m -91.17 -20.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -85.24 -34.29 22.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.6 ttp -70.61 -33.31 70.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.427 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -79.05 -38.91 35.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -65.23 -18.6 65.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 0.0 110.068 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -83.71 -42.67 16.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.32 -22.7 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.97 -53.72 44.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -99.68 57.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.319 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.3 t -127.21 96.71 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 108.317 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.7 58.99 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.87 87.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.91 94.92 35.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.97 21.43 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 88.85 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 0.0 110.95 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.488 0.185 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 3' ' ' LYS . 22.0 t 64.92 167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -132.1 72.81 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 161.22 -27.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.73 71.08 0.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.596 HG22 ' N ' ' A' ' 7' ' ' GLY . 88.2 mt -119.77 -103.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.693 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -63.37 -29.86 75.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.4 1.062 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.2 m -47.57 -24.3 0.84 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 0.735 . . . . 0.0 110.089 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -68.36 -71.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 7' ' ' GLY . 2.3 tp -40.73 -31.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 11' ' ' LEU . 2.4 mm? -68.39 -52.98 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.9 t -49.7 -31.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.56 -54.67 7.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 23.0 m-85 -57.96 -36.77 73.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 12' ' ' VAL . 10.0 p -83.53 -9.92 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -90.99 -40.64 11.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 ttm -71.94 -30.1 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -73.99 -47.04 39.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -22.37 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -45.61 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.05 -23.18 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.555 ' C ' HD12 ' A' ' 23' ' ' LEU . . . -60.27 -54.99 32.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 22' ' ' GLY . 9.3 mp -130.25 74.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -103.5 -21.73 13.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.28 47.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -98.58 -18.53 18.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -47.27 -53.1 30.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.0 131.52 14.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.11 155.23 30.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.581 ' SD ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.484 0.183 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.581 HG22 ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -40.19 -37.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 tptt 55.64 46.96 21.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 10.6 t 171.48 -33.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 4' ' ' SER . 30.2 tttp 86.43 -9.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 6.5 mm -80.02 -23.28 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' C ' ' CG1' ' A' ' 2' ' ' VAL . . . -90.08 13.34 65.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.61 1.193 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -109.53 -22.45 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 0.806 . . . . 0.0 110.002 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.432 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 3.5 p-90 -80.36 -46.74 15.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -51.88 -35.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -45.07 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 41.6 t -66.42 -16.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -73.04 -53.99 9.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 20.3 m-85 -53.38 -48.5 68.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 28.8 m -68.94 -17.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -87.59 -34.33 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.868 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -71.02 -34.19 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 14' ' ' PHE . 9.6 m0 -75.66 -50.46 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.988 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -16.99 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.82 -40.45 18.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 17' ' ' MET . 8.5 t -64.62 -23.85 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 38.38 46.92 2.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 42.7 58.8 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 m -95.97 -100.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.275 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.86 57.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -89.48 -22.71 22.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 52.94 78.92 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 142.81 28.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.2 165.44 36.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.943 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.57 0.224 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 4' ' ' SER . 2.2 t -132.97 168.0 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.37 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -108.2 -15.34 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.472 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.5 OUTLIER 160.08 -26.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -81.98 53.61 2.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 7' ' ' GLY . 15.3 mt -73.16 -102.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.557 ' N ' HG22 ' A' ' 6' ' ' ILE . . . -48.75 -32.1 10.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.598 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -61.73 -23.1 65.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.565 ' CZ2' HD21 ' A' ' 13' ' ' LEU . 11.5 t-105 -87.2 -40.9 14.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.663 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.0 mm -61.32 -31.16 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -51.68 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 8' ' ' SER . 44.6 t -59.73 -19.37 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD21 ' CZ2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -77.7 -54.87 5.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.663 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.1 m-85 -54.04 -36.94 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 27.1 m -81.59 -24.48 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.78 -34.36 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -33.94 68.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.535 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -81.18 -23.78 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.37 65.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -97.01 -34.24 11.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.56 -22.34 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.75 -83.39 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 pp -43.75 -30.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 m -85.47 73.66 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.58 -36.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -69.4 -104.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.411 ' NE ' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -39.5 155.49 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -75.01 138.8 23.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.771 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.39 156.09 35.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.528 0.204 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.06 -168.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -126.0 74.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 165.44 -29.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.038 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.42 55.07 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mt -50.95 -22.83 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.34 -56.42 20.09 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -66.7 -17.19 64.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 0.794 . . . . 0.0 109.98 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.574 ' CE2' HD11 ' A' ' 13' ' ' LEU . 55.1 t-105 -71.82 -70.4 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.647 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -46.97 -38.12 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.537 1.148 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -66.6 -51.93 50.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 8' ' ' SER . 4.3 t -61.72 -15.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 9' ' ' TRP . 2.0 mt -83.11 -48.33 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.376 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 19.3 m-85 -56.56 -31.71 64.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 11' ' ' LEU . 4.4 m -88.21 -23.27 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -81.38 -34.39 31.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.089 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -37.2 60.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 107.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -72.56 -22.38 61.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.936 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.8 t70 -69.52 -49.06 58.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.228 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.9 t -52.49 -23.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.5 -37.76 1.9 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 20' ' ' ASP . 3.5 pp -40.94 -48.24 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER 48.63 86.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 108.311 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 90.34 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER 166.64 -31.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 23' ' ' LEU . 7.7 ptm180 -165.74 149.65 7.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -77.57 -56.46 1.15 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 29' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.574 1.828 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.479 0.18 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.773 HG13 ' N ' ' A' ' 3' ' ' LYS . 1.4 p -155.54 -152.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.773 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -155.02 81.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.352 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 50.1 m -168.94 -41.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 4' ' ' SER . 0.5 OUTLIER 164.38 -30.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 6' ' ' ILE . 16.4 mm -67.21 -23.14 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.78 27.77 10.43 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -111.7 -20.86 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.94 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -77.24 -28.83 53.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 tp -58.65 -27.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.18 29.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 74.9 t -67.6 -12.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.613 HD11 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -81.59 -55.32 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -53.74 -35.01 60.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 12' ' ' VAL . 20.0 m -80.88 -26.36 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -73.61 -40.86 63.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -40.76 83.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -68.21 -46.42 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -62.85 -22.43 66.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.9 -47.1 60.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.4 t -54.85 -22.94 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.45 -56.45 11.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.03 81.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 t -95.48 -21.83 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.364 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -21.26 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -51.22 -22.65 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -141.52 156.46 66.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 68.14 5.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.432 1.754 . . . . 0.0 111.045 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.6 160.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.574 0.226 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.6 m -40.55 -47.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.1 OUTLIER 64.08 73.37 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.391 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.28 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.75 51.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -55.88 -23.93 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.21 -30.72 71.38 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -82.87 -22.33 34.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 0.0 110.045 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.513 ' CE2' HD21 ' A' ' 13' ' ' LEU . 26.5 t-105 -82.57 -50.27 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.491 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 6.4 tt -55.49 -29.71 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -51.83 25.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 17.1 t -61.29 -15.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -79.7 -55.03 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.212 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CZ ' HG12 ' A' ' 10' ' ' ILE . 23.8 m-85 -53.69 -36.08 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 26.2 m -81.0 -25.93 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -78.48 -39.42 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -64.57 -37.97 89.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.419 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -75.79 -42.54 49.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -59.25 -18.95 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.044 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.84 -38.67 14.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -71.75 -23.48 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.26 39.63 2.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.165 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -143.15 -50.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 27.9 p -113.37 70.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.255 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 164.05 -29.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -105.63 53.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.221 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -65.34 -53.12 41.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.95 -47.52 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.81 89.21 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 110.996 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' VAL . 2.1 ttm . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.515 0.198 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.775 HG22 ' N ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -45.0 -93.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.775 ' N ' HG22 ' A' ' 2' ' ' VAL . 0.5 OUTLIER 50.4 89.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.367 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.12 -27.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 6.5 mmtp -148.87 87.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -40.44 -82.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' ILE . . . -40.25 -64.21 1.18 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.5 t -40.79 -30.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 0.794 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.712 ' HB2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -73.83 -54.06 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 108.035 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.902 HD13 HD23 ' A' ' 13' ' ' LEU . 2.5 mm -49.88 -40.94 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.5 mm? -60.64 -52.7 64.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.574 ' HA ' HG22 ' A' ' 15' ' ' VAL . 74.0 t -59.2 -20.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.902 HD23 HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -76.14 -53.26 8.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.6 m-85 -58.64 -42.38 88.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 12' ' ' VAL . 10.3 m -70.65 -18.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -85.27 -40.83 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -63.43 -36.86 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE3' ' HA ' ' A' ' 15' ' ' VAL . 10.6 m0 -72.38 -51.81 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.3 m -55.85 -21.89 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.53 -44.0 30.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 17' ' ' MET . 78.0 t -63.38 -23.76 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.58 44.51 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.68 -46.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.23 -21.86 63.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 108.257 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.42 44.23 2.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' ARG . 19.6 tptt -128.98 -103.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 11.6 ttm180 -38.36 99.06 0.18 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.05 136.51 20.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -68.4 -53.11 18.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 2.6 t -127.02 161.61 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER 166.89 -31.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.24 -20.86 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -88.92 52.98 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.622 HG22 ' N ' ' A' ' 7' ' ' GLY . 67.5 mt -89.97 -103.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.622 ' N ' HG22 ' A' ' 6' ' ' ILE . . . -62.4 -26.08 67.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -19.34 61.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.56 ' CH2' HD21 ' A' ' 13' ' ' LEU . 8.0 t-105 -81.01 -53.14 6.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 107.936 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -55.16 -25.92 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.13 -45.18 18.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.591 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.4 t -63.51 -15.03 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD21 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.03 -56.66 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 19.6 m-85 -51.88 -38.21 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 12' ' ' VAL . 30.0 m -79.62 -25.4 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -71.89 -38.93 69.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.855 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.2 tpt -67.32 -55.23 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.58 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -57.45 -21.67 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 t -91.64 -25.78 18.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -44.36 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.855 HG22 ' O ' ' A' ' 17' ' ' MET . 1.3 m -58.49 -40.29 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.78 42.82 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.19 -61.54 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.7 m -51.24 108.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 tttt 68.12 43.65 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -16.01 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.31 155.48 92.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 59.2 159.97 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.439 0.162 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 3' ' ' LYS . 20.2 t -116.26 170.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.523 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -82.27 -103.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.7 m -87.3 -21.02 26.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HG3' HG11 ' A' ' 2' ' ' VAL . 2.0 tttp 57.95 76.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.423 ' CG1' ' N ' ' A' ' 7' ' ' GLY . 7.1 pt -65.57 -56.7 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' N ' ' CG1' ' A' ' 6' ' ' ILE . . . -45.44 -32.26 3.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -54.04 -20.61 6.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' LEU . 70.3 m95 -74.26 -51.76 14.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.568 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 4.5 mm -47.33 -43.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -48.41 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 45.5 t -63.41 -18.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.29 -55.2 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 22.6 m-85 -53.95 -36.28 62.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 12' ' ' VAL . 19.9 m -81.8 -24.75 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.86 -34.4 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -65.32 -43.04 92.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.493 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 11.5 m0 -68.32 -50.41 53.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -21.74 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -84.25 -40.35 18.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' MET . 91.5 t -68.93 -23.92 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.21 49.49 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tp -169.5 -43.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.31 -21.52 9.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 108.331 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.35 46.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 43.27 78.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.61 84.0 10.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 168.43 24.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.977 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -153.37 75.09 6.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.514 0.197 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.475 HG12 HG23 ' A' ' 6' ' ' ILE . 3.1 t -81.48 -20.6 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -49.12 -24.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.89 -21.89 11.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -79.55 -19.73 48.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.475 HG23 HG12 ' A' ' 2' ' ' VAL . 0.6 OUTLIER -44.85 -90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 52.32 4.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 m -148.16 -45.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.982 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 1.065 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -70.74 -53.27 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 108.037 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.5 mm -57.28 -25.26 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -76.87 -49.16 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 44.6 t -61.82 -14.79 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.065 HD11 ' CZ2' ' A' ' 9' ' ' TRP . 1.1 mt -85.04 -47.74 9.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 16.5 m-85 -57.84 -30.59 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 11' ' ' LEU . 5.5 m -86.77 -21.83 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.78 -37.09 30.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.91 -45.69 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.57 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -62.04 -23.42 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -16.64 24.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.478 ' C ' HG23 ' A' ' 21' ' ' VAL . 5.5 t70 -115.98 20.69 14.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.478 HG23 ' C ' ' A' ' 20' ' ' ASP . 65.5 t -155.25 -45.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.359 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.83 -72.51 0.17 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.19 62.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.78 25.7 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 108.312 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.66 20.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -97.75 -104.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER 78.54 94.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 84.44 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.3 173.49 2.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.496 0.189 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.769 HG13 ' N ' ' A' ' 3' ' ' LYS . 1.4 p -109.98 -152.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.769 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -142.04 72.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 159.99 -26.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 pttp 40.8 72.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 pt -106.77 -102.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.553 ' HA2' HG23 ' A' ' 10' ' ' ILE . . . -61.41 -12.98 34.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.425 1.078 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.55 -14.58 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.572 ' CE3' ' O ' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -98.48 -19.17 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.553 HG23 ' HA2' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -78.85 -24.15 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -79.6 -51.38 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 15' ' ' VAL . 98.5 t -59.54 -18.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.58 -54.55 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.2 -47.02 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 12' ' ' VAL . 33.3 m -68.94 -25.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -69.57 -44.23 71.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.837 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -64.93 -54.65 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.589 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -57.9 -21.55 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -91.2 -26.03 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.597 1.185 . . . . 0.0 109.918 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -77.22 -44.5 29.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 17' ' ' MET . 1.2 m -58.58 -40.27 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -40.21 -52.53 3.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tp -40.98 -57.98 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 m -92.88 42.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 108.278 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 179.88 38.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -87.22 -22.72 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -38.54 99.17 0.19 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 59.29 5.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -144.7 156.82 56.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.222 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.51 0.195 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.767 HG13 ' N ' ' A' ' 3' ' ' LYS . 1.4 p -174.81 -152.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.767 ' N ' HG13 ' A' ' 2' ' ' VAL . 2.4 mttt -171.77 -97.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -18.25 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' O ' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -103.7 63.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mt -57.82 -17.8 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.51 33.86 4.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.558 ' HB2' HG21 ' A' ' 2' ' ' VAL . 1.9 m -111.01 -22.57 11.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.778 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.548 ' CH2' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -76.5 -34.46 58.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 107.996 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -52.32 -37.72 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -41.67 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' A' ' 15' ' ' VAL . 54.3 t -61.08 -22.09 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.548 HD11 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -76.34 -52.4 10.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -53.39 -39.19 64.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 12' ' ' VAL . 24.5 m -76.65 -26.02 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -72.45 -42.18 65.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.895 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.7 ttt -70.13 -40.05 75.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -70.5 -23.23 62.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -95.15 -20.88 18.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.2 m-20 -86.79 -40.45 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.895 HG13 ' O ' ' A' ' 17' ' ' MET . 12.5 m -41.44 -48.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.74 51.23 58.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.167 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 26' ' ' LYS . 1.0 OUTLIER 56.81 71.06 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -57.38 -21.7 37.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -72.59 -17.74 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -102.37 53.22 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 63.42 122.36 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -174.62 2.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.435 1.755 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -42.27 157.6 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.487 0.184 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 3' ' ' LYS . 1.4 p -109.68 -152.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.759 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER 164.27 -30.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m -81.24 -22.25 38.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mttm 62.25 53.92 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 mt -94.73 -20.79 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.762 ' O ' HD23 ' A' ' 11' ' ' LEU . . . -88.29 19.47 35.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.562 1.164 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -24.58 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 0.79 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -98.43 -11.46 22.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.3 pt -91.55 -18.76 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 7' ' ' GLY . 2.1 mm? -80.92 -51.55 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.663 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 48.4 t -53.08 -30.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.558 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.45 -55.22 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 10' ' ' ILE . 21.3 m-30 -56.14 -39.94 73.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 12' ' ' VAL . 15.4 m -79.68 -13.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -90.8 -34.67 15.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -32.66 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -76.31 -45.92 30.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 108.037 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -62.83 -22.22 66.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.91 -42.63 48.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.1 -22.59 24.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.523 ' O ' HD12 ' A' ' 23' ' ' LEU . . . -39.14 -77.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -155.6 87.13 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -151.37 98.74 2.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 108.268 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.64 29.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 24' ' ' CYS . 2.0 tptt -138.91 -103.31 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 60.53 82.34 0.23 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 8.7 tttp -136.57 142.11 38.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.431 1.753 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.491 0.186 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.404 ' CG2' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -145.03 157.55 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 2' ' ' VAL . 5.1 ttmt -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.33 126.26 0.78 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.498 1.124 . . . . 0.0 109.937 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -15.87 55.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.403 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.6 mt -81.33 -22.49 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.801 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -89.19 -47.69 4.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -22.55 1.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 0.803 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -32.28 51.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 108.004 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.828 HD12 HD23 ' A' ' 13' ' ' LEU . 6.1 tp -44.96 -46.77 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 15' ' ' VAL . 1.3 mm? -61.95 -46.51 88.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 60.6 t -56.56 -21.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.828 HD23 HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -78.32 -49.46 13.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -55.14 -40.68 70.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 11' ' ' LEU . 4.8 m -79.46 -15.02 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -88.74 -36.35 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.95 -41.67 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.566 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -63.77 -23.62 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.008 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.64 -16.81 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -97.58 1.08 48.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 17' ' ' MET . 45.8 t -110.15 -23.27 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.58 39.83 2.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.22 -59.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -101.32 71.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 16.6 tttp 164.04 -29.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 56.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -110.25 150.05 40.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.34 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -70.77 -53.71 8.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.473 0.178 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 3' ' ' LYS . 22.0 t 56.72 167.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.52 1.137 . . . . 0.0 109.223 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' N ' HG12 ' A' ' 2' ' ' VAL . 16.1 ptmt -128.35 61.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 t 171.25 -32.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.37 81.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 6' ' ' ILE . 15.0 mm -78.76 -19.38 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.69 26.34 9.66 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -111.55 -21.95 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 0.701 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.481 ' O ' HD23 ' A' ' 13' ' ' LEU . 49.6 m95 -66.02 -62.06 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.569 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 1.4 mm -39.97 -29.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' C ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -66.96 -63.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG12 HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -46.08 -33.67 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD23 HG12 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -60.52 -66.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 22.5 m-85 -39.49 -48.89 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 111.05 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 35.8 m -70.88 -37.96 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -63.02 -34.14 76.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -41.33 59.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -72.14 -39.83 68.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -67.97 -22.83 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -41.14 21.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.62 -22.45 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.2 38.98 2.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.79 37.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 0.794 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p -107.34 -21.81 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.73 -15.65 13.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -87.93 -18.06 29.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -77.26 148.23 77.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.13 108.29 2.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.396 1.735 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HG2' ' CD ' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -83.08 163.47 50.61 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' CD ' ' HG2' ' A' ' 29' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.487 1.783 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.528 0.204 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 6' ' ' ILE . 3.9 m -130.72 171.47 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.81 -21.67 20.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 16.0 m -72.92 -25.7 61.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 4' ' ' SER . 10.9 tttt 84.39 8.37 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 2' ' ' VAL . 12.7 mm 70.16 -57.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' O ' HD23 ' A' ' 11' ' ' LEU . . . -54.52 -18.37 10.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 4' ' ' SER . 8.3 t -92.06 -23.18 19.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.544 ' CE3' ' O ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -80.48 -43.0 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 108.024 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 3.7 tp -56.39 -45.86 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.533 HD22 HG23 ' A' ' 10' ' ' ILE . 3.4 mm? -61.86 -50.6 71.59 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.768 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.4 t -51.49 -23.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -80.19 -53.28 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 20.6 m-85 -62.5 -29.16 70.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 12' ' ' VAL . 4.3 p -89.21 -14.49 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -83.07 -34.46 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.709 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.4 tpp -75.5 -39.9 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.589 ' CZ3' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -68.94 -36.93 78.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -63.64 -21.52 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -40.26 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 17' ' ' MET . 11.9 t -69.29 -23.93 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.08 48.42 1.0 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tp -167.59 -54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.255 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.97 78.24 4.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 108.255 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -175.06 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -99.27 -99.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.488 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER 168.27 -54.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -74.97 145.15 31.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -68.67 -54.8 12.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 13' ' ' LEU . 1.6 p-90 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.414 HD12 HD23 ' A' ' 13' ' ' LEU . 1.1 tp -48.92 -39.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -56.96 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.581 ' HA ' HG22 ' A' ' 15' ' ' VAL . 29.0 t -61.15 -15.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.17 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.757 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.11 -54.1 10.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 22.6 m-85 -56.24 -50.36 71.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 12' ' ' VAL . 19.4 m -62.56 -22.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.63 -45.3 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -38.59 82.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.562 ' CZ2' ' HB3' ' A' ' 14' ' ' PHE . 9.8 m0 -71.77 -53.96 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -55.01 -22.24 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.677 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -41.78 -55.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.2 mm? -52.2 -56.37 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.1 t -52.35 -29.73 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.18 -54.5 14.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.677 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.4 m-85 -56.43 -43.43 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 11' ' ' LEU . 36.5 t -59.21 -25.66 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -78.82 -53.22 7.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 mtp -79.4 3.89 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.064 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.495 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 22.2 t90 -103.84 -24.38 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.68 -17.57 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 32.8 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.55 ' CZ2' HD21 ' A' ' 13' ' ' LEU . 46.8 t-105 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 14' ' ' PHE . 2.3 mm -45.04 -38.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -63.5 -64.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.45 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 51.1 t -47.34 -25.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.397 1.061 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD21 ' CZ2' ' A' ' 9' ' ' TRP . 1.4 mt -77.43 -45.88 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 10' ' ' ILE . 10.4 m-30 -58.8 -32.05 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.065 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 11.6 m -88.81 -22.23 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -82.58 -34.21 27.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.44 67.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.23 -40.35 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -62.33 -22.55 66.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.513 ' CE2' HD21 ' A' ' 13' ' ' LEU . 64.9 t-105 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.549 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 5.8 tp -55.48 -20.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -49.82 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.565 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 26.3 t -64.88 -12.92 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.38 -57.46 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 21.7 m-85 -51.15 -37.75 48.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 28.6 m -80.06 -24.23 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -78.85 -43.34 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 tpt -66.63 -33.77 76.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.61 -49.87 29.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.45 -21.5 66.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.457 ' O ' HG12 ' A' ' 12' ' ' VAL . 1.8 m95 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.588 HG23 ' CE1' ' A' ' 14' ' ' PHE . 2.8 mm -59.88 -16.17 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.682 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -82.21 -54.57 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.549 HG13 HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.78 -18.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.549 HD23 HG13 ' A' ' 12' ' ' VAL . 2.6 mt -83.24 -46.7 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE1' HG23 ' A' ' 10' ' ' ILE . 12.0 m-30 -58.25 -30.16 66.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 11' ' ' LEU . 3.9 m -90.35 -21.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -83.94 -34.43 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -31.72 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -77.89 -40.17 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -20.26 66.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LEU . 52.3 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.576 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mm -41.36 -44.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.665 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -65.02 -54.97 22.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 54.6 t -57.65 -17.86 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' TRP . 2.2 mt -83.33 -46.3 12.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.576 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 9.7 m-30 -58.51 -29.65 66.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 11' ' ' LEU . 3.8 m -91.17 -20.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -85.24 -34.29 22.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.6 ttp -70.61 -33.31 70.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.427 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -79.05 -38.91 35.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -65.23 -18.6 65.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 0.0 110.068 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.567 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 2.3 tp -40.73 -31.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.4 mm? -68.39 -52.98 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.9 t -49.7 -31.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.57 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.56 -54.67 7.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 23.0 m-85 -57.96 -36.77 73.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 12' ' ' VAL . 10.0 p -83.53 -9.92 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -90.99 -40.64 11.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 ttm -71.94 -30.1 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -73.99 -47.04 39.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -22.37 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.426 ' CG ' ' N ' ' A' ' 10' ' ' ILE . 3.5 p-90 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -51.88 -35.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -45.07 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 41.6 t -66.42 -16.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -73.04 -53.99 9.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 20.3 m-85 -53.38 -48.5 68.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 28.8 m -68.94 -17.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -87.59 -34.33 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -71.02 -34.19 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 14' ' ' PHE . 9.6 m0 -75.66 -50.46 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.988 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -16.99 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.565 ' CZ2' HD21 ' A' ' 13' ' ' LEU . 11.5 t-105 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.663 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.0 mm -61.32 -31.16 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -51.68 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.584 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 44.6 t -59.73 -19.37 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.565 HD21 ' CZ2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -77.7 -54.87 5.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.663 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.1 m-85 -54.04 -36.94 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 27.1 m -81.59 -24.48 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.78 -34.36 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -33.94 68.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.535 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -81.18 -23.78 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.37 65.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.574 ' CE2' HD11 ' A' ' 13' ' ' LEU . 55.1 t-105 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.647 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -46.97 -38.12 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.537 1.148 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -66.6 -51.93 50.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.445 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 4.3 t -61.72 -15.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 9' ' ' TRP . 2.0 mt -83.11 -48.33 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.376 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 19.3 m-85 -56.56 -31.71 64.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 11' ' ' LEU . 4.4 m -88.21 -23.27 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -81.38 -34.39 31.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.089 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -37.2 60.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 107.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -72.56 -22.38 61.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.936 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.228 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 tp -58.65 -27.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.18 29.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 74.9 t -67.6 -12.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.613 HD11 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -81.59 -55.32 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -53.74 -35.01 60.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 12' ' ' VAL . 20.0 m -80.88 -26.36 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -73.61 -40.86 63.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -40.76 83.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.463 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -68.21 -46.42 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -62.85 -22.43 66.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.513 ' CE2' HD21 ' A' ' 13' ' ' LEU . 26.5 t-105 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.491 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 6.4 tt -55.49 -29.71 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -51.83 25.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 17.1 t -61.29 -15.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -79.7 -55.03 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.212 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CZ ' HG12 ' A' ' 10' ' ' ILE . 23.8 m-85 -53.69 -36.08 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 26.2 m -81.0 -25.93 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -78.48 -39.42 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -64.57 -37.97 89.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.419 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -75.79 -42.54 49.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -59.25 -18.95 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.044 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.545 ' CZ3' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.902 HD13 HD23 ' A' ' 13' ' ' LEU . 2.5 mm -49.88 -40.94 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.5 mm? -60.64 -52.7 64.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.574 ' HA ' HG22 ' A' ' 15' ' ' VAL . 74.0 t -59.2 -20.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.902 HD23 HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -76.14 -53.26 8.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.6 m-85 -58.64 -42.38 88.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 12' ' ' VAL . 10.3 m -70.65 -18.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -85.27 -40.83 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.43 -36.86 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE3' ' HA ' ' A' ' 15' ' ' VAL . 10.6 m0 -72.38 -51.81 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.3 m -55.85 -21.89 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.56 ' CH2' HD21 ' A' ' 13' ' ' LEU . 8.0 t-105 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -55.16 -25.92 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.13 -45.18 18.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.591 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.4 t -63.51 -15.03 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.56 HD21 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.03 -56.66 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 19.6 m-85 -51.88 -38.21 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 12' ' ' VAL . 30.0 m -79.62 -25.4 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -71.89 -38.93 69.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 tpt -67.32 -55.23 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.58 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -57.45 -21.67 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 t -91.64 -25.78 18.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' LEU . 70.3 m95 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.568 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 4.5 mm -47.33 -43.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -48.41 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 45.5 t -63.41 -18.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.29 -55.2 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 22.6 m-85 -53.95 -36.28 62.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 12' ' ' VAL . 19.9 m -81.8 -24.75 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.86 -34.4 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -43.04 92.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.493 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 11.5 m0 -68.32 -50.41 53.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -21.74 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 1.065 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.5 mm -57.28 -25.26 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -76.87 -49.16 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 44.6 t -61.82 -14.79 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.065 HD11 ' CZ2' ' A' ' 9' ' ' TRP . 1.1 mt -85.04 -47.74 9.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 16.5 m-85 -57.84 -30.59 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 11' ' ' LEU . 5.5 m -86.77 -21.83 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.78 -37.09 30.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -45.69 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.57 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -62.04 -23.42 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -16.64 24.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -78.85 -24.15 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.404 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -79.6 -51.38 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 15' ' ' VAL . 98.5 t -59.54 -18.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.58 -54.55 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.2 -47.02 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 12' ' ' VAL . 33.3 m -68.94 -25.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -69.57 -44.23 71.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -54.65 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.589 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -57.9 -21.55 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -91.2 -26.03 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.597 1.185 . . . . 0.0 109.918 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.548 ' CH2' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -52.32 -37.72 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -41.67 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' A' ' 15' ' ' VAL . 54.3 t -61.08 -22.09 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.548 HD11 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -76.34 -52.4 10.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -53.39 -39.19 64.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 12' ' ' VAL . 24.5 m -76.65 -26.02 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -72.45 -42.18 65.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.7 ttt -70.13 -40.05 75.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -70.5 -23.23 62.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -95.15 -20.88 18.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.2 m-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 73.5 m95 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.3 pt -91.55 -18.76 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 15' ' ' VAL . 2.1 mm? -80.92 -51.55 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.663 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 48.4 t -53.08 -30.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.45 -55.22 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 10' ' ' ILE . 21.3 m-30 -56.14 -39.94 73.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 12' ' ' VAL . 15.4 m -79.68 -13.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -90.8 -34.67 15.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -32.66 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -76.31 -45.92 30.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 108.037 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -62.83 -22.22 66.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.828 HD12 HD23 ' A' ' 13' ' ' LEU . 6.1 tp -44.96 -46.77 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 15' ' ' VAL . 1.3 mm? -61.95 -46.51 88.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 60.6 t -56.56 -21.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.828 HD23 HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -78.32 -49.46 13.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -55.14 -40.68 70.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 11' ' ' LEU . 4.8 m -79.46 -15.02 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -88.74 -36.35 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -41.67 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.566 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -63.77 -23.62 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.008 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.64 -16.81 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 179.977 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.481 ' O ' HD23 ' A' ' 13' ' ' LEU . 49.6 m95 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.569 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 1.4 mm -39.97 -29.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' C ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -66.96 -63.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.536 HG12 HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -46.08 -33.67 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.536 HD23 HG12 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -60.52 -66.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 22.5 m-85 -39.49 -48.89 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 111.05 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 35.8 m -70.88 -37.96 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -63.02 -34.14 76.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -41.33 59.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -72.14 -39.83 68.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -67.97 -22.83 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.544 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 3.7 tp -56.39 -45.86 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.533 HD22 HG23 ' A' ' 10' ' ' ILE . 3.4 mm? -61.86 -50.6 71.59 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.768 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.4 t -51.49 -23.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -80.19 -53.28 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 20.6 m-85 -62.5 -29.16 70.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 12' ' ' VAL . 4.3 p -89.21 -14.49 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -83.07 -34.46 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 1.4 tpp -75.5 -39.9 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.589 ' CZ3' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -68.94 -36.93 78.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -63.64 -21.52 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 17.4 mmt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.489 0.185 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.4 t -131.03 159.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -21.58 62.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -81.38 -22.29 38.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.61 56.29 0.89 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.0 mm -107.0 -21.8 5.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.49 32.45 5.0 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.549 1.156 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.7 t -111.85 -22.48 11.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 110.011 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' A' ' 13' ' ' LEU . 1.6 p-90 -72.44 -39.32 67.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.414 HD12 HD23 ' A' ' 13' ' ' LEU . 1.1 tp -48.92 -39.4 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -56.96 7.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.581 ' HA ' HG22 ' A' ' 15' ' ' VAL . 29.0 t -61.15 -15.37 12.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.571 1.17 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.757 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.11 -54.1 10.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 22.6 m-85 -56.24 -50.36 71.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 12' ' ' VAL . 19.4 m -62.56 -22.77 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.63 -45.3 19.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.79 -38.59 82.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.562 ' CZ2' ' HB3' ' A' ' 14' ' ' PHE . 9.8 m0 -71.77 -53.96 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.2 m -55.01 -22.24 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -45.62 44.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.63 -23.84 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.27 44.52 2.0 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.73 -59.08 1.02 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 0.813 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 15.7 p -103.17 75.89 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 108.342 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER 166.73 -31.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.312 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.27 -22.73 57.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 62.37 151.39 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.288 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.54 22.4 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.491 1.785 . . . . 0.0 111.034 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -77.72 -56.62 1.1 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.343 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD3' ' CB ' ' A' ' 29' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.544 0.212 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.437 HG23 ' H ' ' A' ' 5' ' ' LYS . 33.6 m -114.04 144.91 20.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.6 -22.21 61.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 t -74.9 -22.19 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.437 ' H ' HG23 ' A' ' 2' ' ' VAL . 3.1 tttt 46.13 83.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.1 mt -55.58 -22.96 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.35 -61.64 2.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 111.095 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.2 t -57.17 -21.89 36.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.02 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -61.69 -63.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 108.033 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.677 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -41.78 -55.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.2 mm? -52.2 -56.37 15.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 8' ' ' SER . 45.1 t -52.35 -29.73 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.18 -54.5 14.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.677 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.4 m-85 -56.43 -43.43 79.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 11' ' ' LEU . 36.5 t -59.21 -25.66 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -78.82 -53.22 7.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 5.2 mtp -79.4 3.89 17.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.064 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.495 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 22.2 t90 -103.84 -24.38 13.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 108.025 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.68 -17.57 12.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.956 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 16' ' ' ALA . 32.8 t70 -83.88 6.39 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.649 HG12 ' N ' ' A' ' 22' ' ' GLY . 41.3 t -110.0 -94.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.649 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -40.57 -71.34 0.31 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' CD2' ' CG ' ' A' ' 28' ' ' PRO . 8.2 mt -45.03 -27.02 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.241 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -71.01 62.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.17 . . . . 0.0 108.316 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -169.8 -97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.83 -24.18 1.34 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 39.06 82.54 0.22 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' CG ' ' CD2' ' A' ' 23' ' ' LEU . 18.6 Cg_endo -74.93 143.49 29.36 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.92 155.21 75.97 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.429 1.752 . . . . 0.0 111.081 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.466 0.174 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.856 HG22 ' HA3' ' A' ' 7' ' ' GLY . 1.4 p -79.45 -152.9 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.777 ' N ' HG13 ' A' ' 2' ' ' VAL . 1.9 mptt -91.55 -105.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 48.7 m -111.74 -23.97 10.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 4' ' ' SER . 18.8 mtpt 164.13 -30.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.4 mt -83.07 -19.81 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.856 ' HA3' HG22 ' A' ' 2' ' ' VAL . . . -50.43 -33.1 24.09 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.47 1.107 . . . . 0.0 111.01 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.505 ' N ' HG21 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -81.96 -22.41 36.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.972 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.55 ' CZ2' HD21 ' A' ' 13' ' ' LEU . 46.8 t-105 -73.53 -62.57 1.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.595 HG23 ' CE1' ' A' ' 14' ' ' PHE . 2.3 mm -45.04 -38.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -63.5 -64.64 0.84 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.45 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 51.1 t -47.34 -25.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.397 1.061 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD21 ' CZ2' ' A' ' 9' ' ' TRP . 1.4 mt -77.43 -45.88 24.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' CE1' HG23 ' A' ' 10' ' ' ILE . 10.4 m-30 -58.8 -32.05 69.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 111.065 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 11.6 m -88.81 -22.23 6.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -82.58 -34.21 27.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.44 67.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.44 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.23 -40.35 67.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.2 t -62.33 -22.55 66.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.969 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.67 -40.94 18.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.79 -22.61 28.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.79 -59.64 2.76 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD23 ' H ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -102.55 61.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER 175.73 64.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.083 . . . . 0.0 108.313 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 164.21 -30.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.489 1.118 . . . . 0.0 109.231 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -56.29 -22.84 32.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.5 155.47 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.612 1.195 . . . . 0.0 110.267 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 176.18 10.24 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -69.48 154.79 94.54 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.207 0 O-C-N 124.451 1.764 . . . . 0.0 110.939 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ptp . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.453 0.168 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 3' ' ' LYS . 78.6 t 61.33 -102.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.637 ' N ' HG12 ' A' ' 2' ' ' VAL . 7.6 tttt 78.96 75.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.13 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 0.0 109.944 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -115.47 47.46 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.467 ' HA ' HD13 ' A' ' 6' ' ' ILE . 20.8 mm -61.37 -22.85 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.17 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.458 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -82.89 -48.56 5.42 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.937 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -66.68 -19.82 65.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.513 ' CE2' HD21 ' A' ' 13' ' ' LEU . 64.9 t-105 -82.03 -56.04 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.022 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.549 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 5.8 tp -55.48 -20.39 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -49.82 11.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 8' ' ' SER . 26.3 t -64.88 -12.92 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.361 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.38 -57.46 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 21.7 m-85 -51.15 -37.75 48.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 28.6 m -80.06 -24.23 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -78.85 -43.34 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.1 tpt -66.63 -33.77 76.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -72.61 -49.87 29.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.45 -21.5 66.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -48.23 63.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 t -52.2 -22.03 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.0 -54.32 37.79 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.484 1.115 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 tp -106.27 59.9 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.497 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 2.8 t -129.96 122.41 28.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.35 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 12.3 tttm 87.45 -11.43 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.36 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -77.25 -103.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.89 158.92 46.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 103.14 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -141.6 87.63 10.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.487 1.782 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.524 0.202 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.653 HG12 ' N ' ' A' ' 3' ' ' LYS . 68.1 t 64.05 -102.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.653 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER 84.33 88.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.02 -26.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.997 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.25 63.26 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.5 mm -101.44 -21.37 5.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.54 -32.38 45.92 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.429 1.081 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -71.94 -22.14 61.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 0.798 . . . . 0.0 109.983 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.457 ' O ' HG12 ' A' ' 12' ' ' VAL . 1.8 m95 -78.94 -53.2 7.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 107.98 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.588 HG23 ' CE1' ' A' ' 14' ' ' PHE . 2.8 mm -59.88 -16.17 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.682 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -82.21 -54.57 5.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.549 HG13 HD23 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -56.78 -18.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.549 HD23 HG13 ' A' ' 12' ' ' VAL . 2.6 mt -83.24 -46.7 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.588 ' CE1' HG23 ' A' ' 10' ' ' ILE . 12.0 m-30 -58.25 -30.16 66.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 11' ' ' LEU . 3.9 m -90.35 -21.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -83.94 -34.43 24.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -31.72 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 111.031 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -77.89 -40.17 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -20.26 66.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.75 -40.58 17.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.417 HG13 ' HB2' ' A' ' 25' ' ' LYS . 44.8 t -69.17 -23.38 26.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.603 1.189 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.38 -28.16 4.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.45 76.12 1.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 0.754 . . . . 0.0 109.187 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.12 -36.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 108.267 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HB2' HG13 ' A' ' 21' ' ' VAL . 6.5 ttmt -103.39 -23.33 13.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.73 -103.08 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.098 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.37 93.51 36.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.206 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.489 1.784 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -178.91 90.22 0.21 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 111.027 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.511 0.196 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.661 HG12 ' H ' ' A' ' 4' ' ' SER . 68.9 t 60.02 -103.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.643 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER 163.53 -29.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.661 ' H ' HG12 ' A' ' 2' ' ' VAL . 39.1 m -105.17 -90.55 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 4' ' ' SER . 2.0 mttt 169.83 61.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.0 mt -77.73 -22.95 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.62 -24.37 11.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.571 1.169 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.587 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -62.42 -19.45 63.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 0.731 . . . . 0.0 109.96 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' LEU . 52.3 m95 -65.13 -63.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.174 . . . . 0.0 108.065 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.576 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 2.0 mm -41.36 -44.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.665 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -65.02 -54.97 22.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 8' ' ' SER . 54.6 t -57.65 -17.86 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' TRP . 2.2 mt -83.33 -46.3 12.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.576 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 9.7 m-30 -58.51 -29.65 66.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 11' ' ' LEU . 3.8 m -91.17 -20.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -85.24 -34.29 22.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 17.6 ttp -70.61 -33.31 70.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.045 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.427 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -79.05 -38.91 35.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.039 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -65.23 -18.6 65.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.502 1.126 . . . . 0.0 110.068 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -83.71 -42.67 16.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.32 -22.7 30.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.97 -53.72 44.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 111.053 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -99.68 57.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.319 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.3 t -127.21 96.71 4.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 108.317 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.7 58.99 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.87 87.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.91 94.92 35.84 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 169.97 21.43 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.98 88.85 0.11 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.467 1.772 . . . . 0.0 110.95 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.488 0.185 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 3' ' ' LYS . 22.0 t 64.92 167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -132.1 72.81 1.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 161.22 -27.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.73 71.08 0.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.596 HG22 ' N ' ' A' ' 7' ' ' GLY . 88.2 mt -119.77 -103.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.693 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -63.37 -29.86 75.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.4 1.062 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.2 m -47.57 -24.3 0.84 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 0.735 . . . . 0.0 110.089 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -68.36 -71.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 7' ' ' GLY . 2.3 tp -40.73 -31.55 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.4 mm? -68.39 -52.98 27.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.9 t -49.7 -31.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -73.56 -54.67 7.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.567 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 23.0 m-85 -57.96 -36.77 73.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.555 HG12 ' HA ' ' A' ' 12' ' ' VAL . 10.0 p -83.53 -9.92 11.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -90.99 -40.64 11.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 ttm -71.94 -30.1 64.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -73.99 -47.04 39.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.067 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -22.37 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -45.61 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.05 -23.18 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.555 ' C ' HD12 ' A' ' 23' ' ' LEU . . . -60.27 -54.99 32.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 22' ' ' GLY . 9.3 mp -130.25 74.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.6 p -103.5 -21.73 13.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 108.296 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.28 47.14 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -98.58 -18.53 18.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -47.27 -53.1 30.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.315 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.5 Cg_endo -75.0 131.52 14.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.11 155.23 30.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.581 ' SD ' HG22 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.484 0.183 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.581 HG22 ' SD ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -40.19 -37.9 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 tptt 55.64 46.96 21.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 10.6 t 171.48 -33.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 4' ' ' SER . 30.2 tttp 86.43 -9.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 6.5 mm -80.02 -23.28 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' C ' ' CG1' ' A' ' 2' ' ' VAL . . . -90.08 13.34 65.05 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.61 1.193 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -109.53 -22.45 11.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 0.806 . . . . 0.0 110.002 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.432 ' CD1' ' O ' ' A' ' 6' ' ' ILE . 3.5 p-90 -80.36 -46.74 15.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.773 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -51.88 -35.06 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -45.07 60.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 41.6 t -66.42 -16.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -73.04 -53.99 9.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.248 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 20.3 m-85 -53.38 -48.5 68.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 28.8 m -68.94 -17.39 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.406 1.066 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -87.59 -34.33 18.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.868 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -71.02 -34.19 71.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.915 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 14' ' ' PHE . 9.6 m0 -75.66 -50.46 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.988 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -16.99 16.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.82 -40.45 18.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 17' ' ' MET . 8.5 t -64.62 -23.85 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 38.38 46.92 2.07 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 42.7 58.8 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 m -95.97 -100.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.275 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.86 57.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -89.48 -22.71 22.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 52.94 78.92 0.37 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 142.81 28.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.2 165.44 36.69 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.943 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.57 0.224 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.472 HG12 ' H ' ' A' ' 4' ' ' SER . 2.2 t -132.97 168.0 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.37 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -108.2 -15.34 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.472 ' H ' HG12 ' A' ' 2' ' ' VAL . 0.5 OUTLIER 160.08 -26.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -81.98 53.61 2.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 7' ' ' GLY . 15.3 mt -73.16 -102.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.557 ' N ' HG22 ' A' ' 6' ' ' ILE . . . -48.75 -32.1 10.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.598 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -61.73 -23.1 65.93 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.565 ' CZ2' HD21 ' A' ' 13' ' ' LEU . 11.5 t-105 -87.2 -40.9 14.15 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.663 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.0 mm -61.32 -31.16 49.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -51.68 42.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 8' ' ' SER . 44.6 t -59.73 -19.37 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.403 1.064 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD21 ' CZ2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -77.7 -54.87 5.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.663 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.1 m-85 -54.04 -36.94 63.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 27.1 m -81.59 -24.48 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.78 -34.36 39.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -33.94 68.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.535 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -81.18 -23.78 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.37 65.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -97.01 -34.24 11.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.1 t -67.56 -22.34 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.75 -83.39 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.455 1.097 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 pp -43.75 -30.94 0.71 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 0.742 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.3 m -85.47 73.66 10.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.58 -36.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -69.4 -104.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.411 ' NE ' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -39.5 155.49 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -75.01 138.8 23.49 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.771 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.39 156.09 35.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.528 0.204 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.8 m -129.06 -168.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -126.0 74.86 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER 165.44 -29.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.038 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.42 55.07 0.97 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 mt -50.95 -22.83 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.34 -56.42 20.09 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -66.7 -17.19 64.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 0.794 . . . . 0.0 109.98 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.574 ' CE2' HD11 ' A' ' 13' ' ' LEU . 55.1 t-105 -71.82 -70.4 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.647 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.8 mm -46.97 -38.12 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.537 1.148 . . . . 0.0 109.368 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -66.6 -51.93 50.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 8' ' ' SER . 4.3 t -61.72 -15.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.574 HD11 ' CE2' ' A' ' 9' ' ' TRP . 2.0 mt -83.11 -48.33 10.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.376 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 19.3 m-85 -56.56 -31.71 64.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 11' ' ' LEU . 4.4 m -88.21 -23.27 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -81.38 -34.39 31.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.585 1.178 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.59 72.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.089 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.41 -37.2 60.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 107.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 t -72.56 -22.38 61.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.936 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' O ' HD23 ' A' ' 23' ' ' LEU . 2.8 t70 -69.52 -49.06 58.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.228 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.9 t -52.49 -23.4 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.5 -37.76 1.9 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 20' ' ' ASP . 3.5 pp -40.94 -48.24 3.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 0.749 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER 48.63 86.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 108.311 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 90.34 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER 166.64 -31.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 23' ' ' LEU . 7.7 ptm180 -165.74 149.65 7.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -77.57 -56.46 1.15 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.437 ' HD3' ' CB ' ' A' ' 29' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.574 1.828 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.479 0.18 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.773 HG13 ' N ' ' A' ' 3' ' ' LYS . 1.4 p -155.54 -152.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.773 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -155.02 81.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 1.085 . . . . 0.0 109.352 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 50.1 m -168.94 -41.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 4' ' ' SER . 0.5 OUTLIER 164.38 -30.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 6' ' ' ILE . 16.4 mm -67.21 -23.14 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.78 27.77 10.43 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -111.7 -20.86 11.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.94 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -77.24 -28.83 53.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 tp -58.65 -27.78 35.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.97 -41.18 29.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 74.9 t -67.6 -12.2 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.352 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.613 HD11 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -81.59 -55.32 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -53.74 -35.01 60.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.48 HG22 ' HA ' ' A' ' 12' ' ' VAL . 20.0 m -80.88 -26.36 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -73.61 -40.86 63.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -40.76 83.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.463 ' C ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -68.21 -46.42 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.6 t -62.85 -22.43 66.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.9 -47.1 60.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.4 t -54.85 -22.94 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.45 -56.45 11.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.03 81.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.5 t -95.48 -21.83 18.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.364 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -21.26 5.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -51.22 -22.65 2.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -141.52 156.46 66.71 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 68.14 5.79 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.432 1.754 . . . . 0.0 111.045 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.6 160.67 0.12 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.446 1.761 . . . . 0.0 110.962 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.574 0.226 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.6 m -40.55 -47.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.1 OUTLIER 64.08 73.37 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.391 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.28 -27.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.75 51.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.4 mt -55.88 -23.93 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.21 -30.72 71.38 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -82.87 -22.33 34.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 0.0 110.045 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.513 ' CE2' HD21 ' A' ' 13' ' ' LEU . 26.5 t-105 -82.57 -50.27 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.491 HG12 ' CZ ' ' A' ' 14' ' ' PHE . 6.4 tt -55.49 -29.71 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -51.83 25.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 17.1 t -61.29 -15.18 12.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -79.7 -55.03 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.212 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.491 ' CZ ' HG12 ' A' ' 10' ' ' ILE . 23.8 m-85 -53.69 -36.08 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' VAL . 26.2 m -81.0 -25.93 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -78.48 -39.42 38.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mtt -64.57 -37.97 89.39 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.409 1.068 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.419 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -75.79 -42.54 49.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -59.25 -18.95 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.044 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.84 -38.67 14.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.7 t -71.75 -23.48 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.26 39.63 2.7 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.165 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -143.15 -50.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 27.9 p -113.37 70.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.255 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER 164.05 -29.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -105.63 53.88 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.221 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -65.34 -53.12 41.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 18.3 Cg_endo -74.95 -47.52 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.81 89.21 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.562 1.822 . . . . 0.0 110.996 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' VAL . 2.1 ttm . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.515 0.198 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.775 HG22 ' N ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -45.0 -93.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.775 ' N ' HG22 ' A' ' 2' ' ' VAL . 0.5 OUTLIER 50.4 89.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.367 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 160.12 -27.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.983 -179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 8' ' ' SER . 6.5 mmtp -148.87 87.41 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -40.44 -82.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 10' ' ' ILE . . . -40.25 -64.21 1.18 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.515 ' O ' HG23 ' A' ' 12' ' ' VAL . 4.5 t -40.79 -30.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 0.794 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.712 ' HB2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -73.83 -54.06 8.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 108.035 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.902 HD13 HD23 ' A' ' 13' ' ' LEU . 2.5 mm -49.88 -40.94 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.5 mm? -60.64 -52.7 64.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.238 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.574 ' HA ' HG22 ' A' ' 15' ' ' VAL . 74.0 t -59.2 -20.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.902 HD23 HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -76.14 -53.26 8.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.642 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 22.6 m-85 -58.64 -42.38 88.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 12' ' ' VAL . 10.3 m -70.65 -18.11 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -85.27 -40.83 16.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -63.43 -36.86 85.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CE3' ' HA ' ' A' ' 15' ' ' VAL . 10.6 m0 -72.38 -51.81 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.3 m -55.85 -21.89 22.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.08 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.53 -44.0 30.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 17' ' ' MET . 78.0 t -63.38 -23.76 34.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -102.58 44.51 1.49 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.68 -46.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.0 m -69.23 -21.86 63.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 108.257 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.42 44.23 2.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 27' ' ' ARG . 19.6 tptt -128.98 -103.84 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 11.6 ttm180 -38.36 99.06 0.18 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' LYS . 18.1 Cg_endo -75.05 136.51 20.39 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -68.4 -53.11 18.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 0.0 111.044 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.52 0.2 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 2.6 t -127.02 161.61 33.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER 166.89 -31.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.24 -20.86 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -88.92 52.98 2.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.622 HG22 ' N ' ' A' ' 7' ' ' GLY . 67.5 mt -89.97 -103.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.622 ' N ' HG22 ' A' ' 6' ' ' ILE . . . -62.4 -26.08 67.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.77 -19.34 61.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.56 ' CH2' HD21 ' A' ' 13' ' ' LEU . 8.0 t-105 -81.01 -53.14 6.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 107.936 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.851 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -55.16 -25.92 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.13 -45.18 18.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.591 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.4 t -63.51 -15.03 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD21 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.03 -56.66 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.704 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 19.6 m-85 -51.88 -38.21 55.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 12' ' ' VAL . 30.0 m -79.62 -25.4 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -71.89 -38.93 69.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.855 ' O ' HG22 ' A' ' 21' ' ' VAL . 3.2 tpt -67.32 -55.23 14.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.58 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.1 OUTLIER -57.45 -21.67 38.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 t -91.64 -25.78 18.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.59 -44.36 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.855 HG22 ' O ' ' A' ' 17' ' ' MET . 1.3 m -58.49 -40.29 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -88.78 42.82 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.19 -61.54 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.7 m -51.24 108.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 108.274 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 tttt 68.12 43.65 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.268 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -16.01 16.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.31 155.48 92.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 116.74 4.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.48 1.779 . . . . 0.0 111.031 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt 59.2 159.97 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.439 0.162 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.523 HG12 ' N ' ' A' ' 3' ' ' LYS . 20.2 t -116.26 170.67 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.523 ' N ' HG12 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -82.27 -103.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.7 m -87.3 -21.02 26.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HG3' HG11 ' A' ' 2' ' ' VAL . 2.0 tttp 57.95 76.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.423 ' CG1' ' N ' ' A' ' 7' ' ' GLY . 7.1 pt -65.57 -56.7 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' N ' ' CG1' ' A' ' 6' ' ' ILE . . . -45.44 -32.26 3.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -54.04 -20.61 6.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 0.789 . . . . 0.0 110.009 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' LEU . 70.3 m95 -74.26 -51.76 14.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.568 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 4.5 mm -47.33 -43.2 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -48.41 65.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 45.5 t -63.41 -18.1 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -78.29 -55.2 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.168 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 22.6 m-85 -53.95 -36.28 62.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 12' ' ' VAL . 19.9 m -81.8 -24.75 9.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -79.86 -34.4 39.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.511 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -65.32 -43.04 92.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.493 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 11.5 m0 -68.32 -50.41 53.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -21.74 8.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -84.25 -40.35 18.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' MET . 91.5 t -68.93 -23.92 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -103.21 49.49 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tp -169.5 -43.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.777 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -54.31 -21.52 9.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 108.331 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.35 46.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 43.27 78.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.61 84.0 10.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 168.43 24.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 0.0 110.977 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -153.37 75.09 6.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtm . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.514 0.197 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.475 HG12 HG23 ' A' ' 6' ' ' ILE . 3.1 t -81.48 -20.6 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -49.12 -24.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.89 -21.89 11.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -79.55 -19.73 48.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.475 HG23 HG12 ' A' ' 2' ' ' VAL . 0.6 OUTLIER -44.85 -90.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.23 52.32 4.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.411 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 m -148.16 -45.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 109.982 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 1.065 ' CZ2' HD11 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -70.74 -53.27 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 108.037 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 14' ' ' PHE . 2.5 mm -57.28 -25.26 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.632 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.3 OUTLIER -76.87 -49.16 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . 44.6 t -61.82 -14.79 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.065 HD11 ' CZ2' ' A' ' 9' ' ' TRP . 1.1 mt -85.04 -47.74 9.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.17 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CE2' ' CG2' ' A' ' 10' ' ' ILE . 16.5 m-85 -57.84 -30.59 65.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 11' ' ' LEU . 5.5 m -86.77 -21.83 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.78 -37.09 30.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -70.91 -45.69 63.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.57 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -62.04 -23.42 66.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 108.007 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.61 -16.64 24.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.478 ' C ' HG23 ' A' ' 21' ' ' VAL . 5.5 t70 -115.98 20.69 14.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.478 HG23 ' C ' ' A' ' 20' ' ' ASP . 65.5 t -155.25 -45.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.359 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.83 -72.51 0.17 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.19 62.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -115.78 25.7 10.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 108.312 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.66 20.57 1.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' O ' ' CB ' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -97.75 -104.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER 78.54 94.83 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 84.44 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.3 173.49 2.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.496 0.189 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.769 HG13 ' N ' ' A' ' 3' ' ' LYS . 1.4 p -109.98 -152.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.769 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -142.04 72.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 159.99 -26.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.028 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 pttp 40.8 72.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 pt -106.77 -102.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.553 ' HA2' HG23 ' A' ' 10' ' ' ILE . . . -61.41 -12.98 34.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.425 1.078 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.55 -14.58 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -98.48 -19.17 17.81 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.553 HG23 ' HA2' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -78.85 -24.15 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' N ' HG13 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -79.6 -51.38 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 15' ' ' VAL . 98.5 t -59.54 -18.51 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.668 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.58 -54.55 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -53.2 -47.02 69.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 12' ' ' VAL . 33.3 m -68.94 -25.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -69.57 -44.23 71.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.837 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -64.93 -54.65 27.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.589 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -57.9 -21.55 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 108.014 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -91.2 -26.03 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.597 1.185 . . . . 0.0 109.918 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -77.22 -44.5 29.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.371 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 17' ' ' MET . 1.2 m -58.58 -40.27 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.61 1.194 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -40.21 -52.53 3.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tp -40.98 -57.98 1.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.7 m -92.88 42.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 108.278 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 179.88 38.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.8 OUTLIER -87.22 -22.72 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -38.54 99.17 0.19 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 59.29 5.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.526 1.803 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -144.7 156.82 56.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.222 0 O-C-N 124.488 1.783 . . . . 0.0 111.03 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.51 0.195 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.767 HG13 ' N ' ' A' ' 3' ' ' LYS . 1.4 p -174.81 -152.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.767 ' N ' HG13 ' A' ' 2' ' ' VAL . 2.4 mttt -171.77 -97.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -18.25 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' O ' HG21 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -103.7 63.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 mt -57.82 -17.8 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.51 33.86 4.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.444 1.09 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.558 ' HB2' HG21 ' A' ' 2' ' ' VAL . 1.9 m -111.01 -22.57 11.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.778 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.548 ' CH2' HD11 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -76.5 -34.46 58.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 107.996 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 tp -52.32 -37.72 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.36 -41.67 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' A' ' 15' ' ' VAL . 54.3 t -61.08 -22.09 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.548 HD11 ' CH2' ' A' ' 9' ' ' TRP . 0.6 OUTLIER -76.34 -52.4 10.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -53.39 -39.19 64.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 12' ' ' VAL . 24.5 m -76.65 -26.02 16.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -72.45 -42.18 65.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.895 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.7 ttt -70.13 -40.05 75.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.565 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -70.5 -23.23 62.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 108.018 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.7 m -95.15 -20.88 18.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 6.2 m-20 -86.79 -40.45 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.895 HG13 ' O ' ' A' ' 17' ' ' MET . 12.5 m -41.44 -48.79 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.74 51.23 58.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.167 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' ' 26' ' ' LYS . 1.0 OUTLIER 56.81 71.06 0.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 0.751 . . . . 0.0 109.327 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -57.38 -21.7 37.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 108.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -72.59 -17.74 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' HB2' HD23 ' A' ' 23' ' ' LEU . 1.0 OUTLIER -102.37 53.22 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 63.42 122.36 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -174.62 2.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.435 1.755 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -42.27 157.6 0.22 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.487 0.184 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.759 HG13 ' N ' ' A' ' 3' ' ' LYS . 1.4 p -109.68 -152.91 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.759 ' N ' HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER 164.27 -30.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.457 1.098 . . . . 0.0 109.344 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m -81.24 -22.25 38.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mttm 62.25 53.92 2.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 mt -94.73 -20.79 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.762 ' O ' HD23 ' A' ' 11' ' ' LEU . . . -88.29 19.47 35.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.562 1.164 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.79 -24.58 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 0.79 . . . . 0.0 109.965 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -98.43 -11.46 22.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 1.3 pt -91.55 -18.76 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 7' ' ' GLY . 2.1 mm? -80.92 -51.55 8.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.663 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 48.4 t -53.08 -30.21 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.558 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.45 -55.22 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.578 ' CD2' ' O ' ' A' ' 10' ' ' ILE . 21.3 m-30 -56.14 -39.94 73.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 12' ' ' VAL . 15.4 m -79.68 -13.18 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -90.8 -34.67 15.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -32.66 61.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 111.04 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -76.31 -45.92 30.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 108.037 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -62.83 -22.22 66.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -75.91 -42.63 48.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.1 -22.59 24.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.523 ' O ' HD12 ' A' ' 23' ' ' LEU . . . -39.14 -77.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -155.6 87.13 1.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -151.37 98.74 2.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 108.268 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 42.64 29.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' N ' ' C ' ' A' ' 24' ' ' CYS . 2.0 tptt -138.91 -103.31 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 60.53 82.34 0.23 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.338 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 8.7 tttp -136.57 142.11 38.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.431 1.753 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.491 0.186 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.404 ' CG2' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -145.03 157.55 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 2' ' ' VAL . 5.1 ttmt -87.37 -36.35 17.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.33 126.26 0.78 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.498 1.124 . . . . 0.0 109.937 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -15.87 55.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.403 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 39.6 mt -81.33 -22.49 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.801 ' O ' HG22 ' A' ' 10' ' ' ILE . . . -89.19 -47.69 4.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.13 -22.55 1.71 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 0.803 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -32.28 51.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 108.004 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.828 HD12 HD23 ' A' ' 13' ' ' LEU . 6.1 tp -44.96 -46.77 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.664 ' O ' HG22 ' A' ' 15' ' ' VAL . 1.3 mm? -61.95 -46.51 88.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 60.6 t -56.56 -21.9 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.828 HD23 HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -78.32 -49.46 13.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -55.14 -40.68 70.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 11' ' ' LEU . 4.8 m -79.46 -15.02 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -88.74 -36.35 16.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -73.95 -41.67 61.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.093 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.566 ' O ' ' CD1' ' A' ' 18' ' ' TRP . 0.4 OUTLIER -63.77 -23.62 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 108.008 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.64 -16.81 23.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -97.58 1.08 48.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 17' ' ' MET . 45.8 t -110.15 -23.27 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.58 39.83 2.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.22 -59.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 0.728 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -101.32 71.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.417 1.073 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 24' ' ' CYS . 16.6 tttp 164.04 -29.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.12 56.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.9 ptt-85 -110.25 150.05 40.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.34 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 111.065 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -70.77 -53.71 8.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.473 0.178 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 3' ' ' LYS . 22.0 t 56.72 167.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.52 1.137 . . . . 0.0 109.223 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' N ' HG12 ' A' ' 2' ' ' VAL . 16.1 ptmt -128.35 61.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 t 171.25 -32.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.37 81.58 0.2 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 HD13 ' HA ' ' A' ' 6' ' ' ILE . 15.0 mm -78.76 -19.38 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.69 26.34 9.66 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -111.55 -21.95 11.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.391 0.701 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.481 ' O ' HD23 ' A' ' 13' ' ' LEU . 49.6 m95 -66.02 -62.06 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.569 HG23 ' CZ ' ' A' ' 14' ' ' PHE . 1.4 mm -39.97 -29.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' C ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -66.96 -63.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG12 HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -46.08 -33.67 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD23 HG12 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -60.52 -66.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.359 179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 22.5 m-85 -39.49 -48.89 2.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 111.05 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 12' ' ' VAL . 35.8 m -70.88 -37.96 70.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -63.02 -34.14 76.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.147 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -41.33 59.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.42 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -72.14 -39.83 68.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -67.97 -22.83 65.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.03 -41.14 21.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.62 -22.45 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.164 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.2 38.98 2.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.432 1.082 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.79 37.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 0.794 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p -107.34 -21.81 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.165 . . . . 0.0 108.277 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.73 -15.65 13.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -87.93 -18.06 29.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.456 ' CG ' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -77.26 148.23 77.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 27' ' ' ARG . 18.2 Cg_endo -75.13 108.29 2.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.396 1.735 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HG2' ' CD ' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -83.08 163.47 50.61 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' CD ' ' HG2' ' A' ' 29' ' ' LYS . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.487 1.783 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.528 0.204 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.457 ' CG2' HG12 ' A' ' 6' ' ' ILE . 3.9 m -130.72 171.47 17.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.81 -21.67 20.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.442 ' O ' ' CB ' ' A' ' 5' ' ' LYS . 16.0 m -72.92 -25.7 61.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 4' ' ' SER . 10.9 tttt 84.39 8.37 0.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.457 HG12 ' CG2' ' A' ' 2' ' ' VAL . 12.7 mm 70.16 -57.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' O ' HD23 ' A' ' 11' ' ' LEU . . . -54.52 -18.37 10.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 4' ' ' SER . 8.3 t -92.06 -23.18 19.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.993 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.544 ' O ' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -80.48 -43.0 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 108.024 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.569 HG13 ' CZ ' ' A' ' 14' ' ' PHE . 3.7 tp -56.39 -45.86 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.533 HD22 HG23 ' A' ' 10' ' ' ILE . 3.4 mm? -61.86 -50.6 71.59 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 109.238 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.768 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 3.4 t -51.49 -23.93 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -80.19 -53.28 6.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.569 ' CZ ' HG13 ' A' ' 10' ' ' ILE . 20.6 m-85 -62.5 -29.16 70.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 12' ' ' VAL . 4.3 p -89.21 -14.49 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 12' ' ' VAL . . . -83.07 -34.46 26.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.709 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.4 tpp -75.5 -39.9 57.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.049 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.589 ' CZ3' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -68.94 -36.93 78.53 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -63.64 -21.52 66.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.06 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -40.26 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 17' ' ' MET . 11.9 t -69.29 -23.93 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.155 . . . . 0.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.08 48.42 1.0 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tp -167.59 -54.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 109.255 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.97 78.24 4.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 108.255 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -175.06 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -99.27 -99.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.488 ' CB ' ' HD3' ' A' ' 28' ' ' PRO . 0.1 OUTLIER 168.27 -54.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 27' ' ' ARG . 18.4 Cg_endo -74.97 145.15 31.2 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -68.67 -54.8 12.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.519 1.799 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 stop_ save_