data_3mef_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 3mef _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HZ1' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -127.2 161.02 29.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.048 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.58 138.64 39.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.034 1.459 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -94.16 157.98 15.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.064 1.478 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.96 -159.44 18.3 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.447 HG23 ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -148.16 138.2 16.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.993 1.055 . . . . 0.0 109.304 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.78 135.81 24.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.97 1.419 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.35 -61.06 1.42 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -125.77 156.91 38.71 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.066 1.479 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.452 ' HA ' ' CA ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.5 127.88 1.17 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.56 134.64 51.68 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.959 1.412 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.45 -13.34 16.66 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -37.48 66.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.018 1.449 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -38.5 10.83 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 100.33 50.63 1.3 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 23.0 m-85 -165.47 159.32 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.973 1.043 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -159.16 -178.89 33.58 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -133.61 125.9 29.76 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.068 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG1' HG12 ' A' ' 32' ' ' VAL . 1.2 mt -103.74 164.88 3.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.15 97.68 16.29 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.013 1.446 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.83 17.02 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.473 2.782 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -70.06 0.09 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.001 1.438 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.76 -34.23 69.34 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.008 1.442 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.24 69.08 1.85 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -32.64 0.22 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.995 1.056 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -57.84 -173.88 0.01 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.022 1.451 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.79 132.45 43.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.016 1.448 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 55' ' ' ILE . 24.5 m -118.21 156.09 20.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.995 1.434 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.06 155.26 19.19 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.966 1.416 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG12 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -140.58 162.11 23.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.018 1.449 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.453 ' HD1' ' H ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -132.07 167.32 19.93 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.028 1.455 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -98.9 41.18 1.15 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.453 ' H ' ' HD1' ' A' ' 33' ' ' HIS . 2.6 t -123.49 20.25 9.57 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.98 1.425 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -170.46 37.53 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.433 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.642 ' CG1' ' H ' ' A' ' 38' ' ' GLN . 10.0 tt -88.55 -179.14 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.642 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 2.3 mp0 -139.71 75.57 1.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.931 1.395 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.499 ' N ' HD21 ' A' ' 39' ' ' ASN . 0.2 OUTLIER -146.56 42.86 1.18 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.956 1.41 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 58.89 -92.3 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -142.26 -141.89 3.97 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.5 t80 31.16 72.74 0.06 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.082 1.107 . . . . 0.0 109.287 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -50.2 120.8 4.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.965 1.415 . . . . 0.0 109.326 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.99 133.73 1.21 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.45 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -137.39 159.02 43.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.96 160.79 14.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 11.1 pt-20 -92.26 120.91 33.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.99 1.431 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.11 41.01 9.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -106.2 148.34 28.02 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.048 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.447 ' CG ' HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -79.54 119.36 22.41 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.018 1.449 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.23 159.03 29.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.42 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -113.34 171.96 7.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.029 1.455 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' CE1' HG22 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -169.85 -161.45 0.28 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.985 1.428 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.4 t -154.24 29.58 0.45 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.038 1.461 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.508 ' CD1' HG12 ' A' ' 30' ' ' VAL . 1.1 mm 34.35 83.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.015 1.447 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.58 161.76 24.6 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.984 1.428 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -119.01 139.35 51.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.452 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.25 -38.2 0.02 OUTLIER Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.42 -77.43 0.6 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.039 1.082 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -86.61 0.4 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -131.46 -73.71 0.11 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.431 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 18.5 Cg_endo -74.95 145.79 32.06 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . . . 175.49 101.26 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' HB3' ' H ' ' A' ' 65' ' ' GLY . . . 38.33 -143.02 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.984 1.428 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 64' ' ' ALA . . . 120.43 83.49 0.77 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 56.94 64.18 1.72 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.047 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' H ' HG21 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -81.65 104.39 10.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.043 1.465 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -121.53 148.04 45.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.978 1.423 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -85.89 142.01 29.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.945 1.403 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.372 0 O-C-N 124.981 1.426 . . . . 0.0 109.314 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.93 177.79 5.33 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.051 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.39 148.35 7.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.987 1.429 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -85.12 146.74 26.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.941 1.401 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.503 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -173.74 129.49 1.66 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.447 HG23 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -97.74 140.43 17.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.075 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' A' ' 46' ' ' ASP . 1.7 p -78.47 155.01 5.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.404 . . . . 0.0 109.225 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -110.96 -63.74 1.36 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.094 1.496 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.463 ' CD1' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.87 166.16 25.7 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.002 1.439 . . . . 0.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -158.64 156.59 30.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 0.0 109.252 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 16' ' ' LYS . 4.0 p30 -131.12 131.82 44.39 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.006 1.441 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.76 -0.08 25.7 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.939 1.399 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -55.08 5.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.078 1.486 . . . . 0.0 109.381 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' CG ' ' OD1' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -81.4 -35.07 31.19 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.935 1.397 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 18' ' ' PHE . . . 101.54 60.08 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 17' ' ' GLY . 64.6 m-85 -158.33 153.38 25.36 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.051 1.089 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.31 170.8 20.79 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 29' ' ' ASP . 10.9 t80 -143.11 114.48 7.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.981 1.047 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.582 ' CD1' HG12 ' A' ' 67' ' ' VAL . 4.7 mt -107.94 168.81 3.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.976 1.423 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.544 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -139.72 108.93 7.17 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.999 1.437 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.537 2.825 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -106.61 -53.18 2.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.078 1.486 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -104.53 -10.59 17.52 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.959 1.412 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.43 -128.87 0.03 OUTLIER Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.458 ' HB2' ' HZ1' ' A' ' 28' ' ' LYS . 23.4 p -116.76 -108.49 0.37 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.036 1.08 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HZ1' ' HB2' ' A' ' 27' ' ' SER . 0.0 OUTLIER -109.35 -178.66 3.62 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.026 1.454 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -58.4 122.88 14.37 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.92 1.387 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.58 128.94 54.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 O-C-N 125.022 1.451 . . . . 0.0 109.266 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -73.83 157.89 35.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 0.0 109.345 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.586 HG21 ' H ' ' A' ' 34' ' ' PHE . 2.0 m -119.77 160.05 20.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.77 42.88 2.12 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.043 1.464 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.603 ' C ' ' H ' ' A' ' 36' ' ' ALA . 1.7 m-30 46.18 -164.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.95 1.406 . . . . 0.0 109.264 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t 71.81 -26.59 0.18 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.964 1.415 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.603 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -138.43 52.84 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -133.34 60.84 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 125.032 1.457 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.582 ' H ' ' NE2' ' A' ' 38' ' ' GLN . 19.6 mm-40 -36.3 100.23 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.942 1.401 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -109.97 -148.28 0.43 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.022 1.451 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.55 -62.5 1.52 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.96 1.412 . . . . 0.0 109.261 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.71 -72.37 0.02 OUTLIER Glycine 0 C--N 1.344 1.002 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.43 119.93 13.7 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.977 1.046 . . . . 0.0 109.315 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -50.38 97.92 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.972 1.42 . . . . 0.0 109.197 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.32 109.01 0.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.969 1.418 . . . . 0.0 109.255 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.681 ' CD1' HE22 ' A' ' 49' ' ' GLN . 10.4 tp -143.14 -139.71 0.11 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.275 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.567 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 6.9 p-10 41.98 -155.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.981 1.425 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 70.6 25.44 4.17 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.007 1.442 . . . . 0.0 109.25 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 49' ' ' GLN . . . 94.82 93.88 1.67 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.681 HE22 ' CD1' ' A' ' 45' ' ' LEU . 20.2 mt-30 -158.85 141.82 14.54 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.043 1.084 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -89.14 117.62 28.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.027 1.454 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.74 176.0 9.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.009 1.443 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.466 ' HG ' HG21 ' A' ' 68' ' ' THR . 4.5 p -132.67 142.85 49.28 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.925 1.39 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE2' HG22 ' A' ' 21' ' ' ILE . 6.9 p90 -153.49 -159.6 1.01 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.04 1.463 . . . . 0.0 109.181 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' A' ' 53' ' ' PHE . 2.4 t -151.61 29.27 0.61 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.981 1.426 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt 36.95 86.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 125.049 1.468 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.552 ' HB2' ' CA ' ' A' ' 65' ' ' GLY . 3.0 mt-10 -82.19 178.41 8.28 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.962 1.414 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 t -149.69 123.88 9.5 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.051 1.469 . . . . 0.0 109.298 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.96 55.36 0.01 OUTLIER Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.48 -161.45 0.59 Allowed 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.044 1.085 . . . . 0.0 109.314 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -37.34 17.05 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.039 1.462 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.26 -151.68 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.98 3.03 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.454 2.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -113.58 164.91 13.05 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 139.22 38.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.897 1.373 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.552 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -109.85 141.21 16.09 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 52.1 50.49 18.37 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.97 1.041 . . . . 0.0 109.423 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -79.66 112.65 17.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.037 1.461 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.466 HG21 ' HG ' ' A' ' 52' ' ' SER . 0.2 OUTLIER -122.43 123.1 40.54 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.896 1.372 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -58.85 146.39 37.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.031 1.457 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.346 0.423 0 O-C-N 125.014 1.446 . . . . 0.0 109.24 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.438 ' HA3' ' HZ2' ' A' ' 4' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.539 ' H ' ' HZ3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.15 160.92 19.83 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.37 152.63 41.82 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.069 1.481 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -81.31 171.64 14.56 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.912 1.383 . . . . 0.0 109.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.82 130.73 1.31 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.344 -1.503 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.556 HG23 ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -103.6 143.9 14.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.941 1.024 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.26 148.4 6.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.014 1.446 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -113.64 -38.84 4.19 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.016 1.448 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -134.21 135.52 43.04 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.041 1.463 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.67 141.76 27.18 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.077 1.486 . . . . 0.0 109.226 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.583 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -123.87 124.02 41.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 0.0 109.344 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.474 ' HB1' ' CE2' ' A' ' 12' ' ' PHE . . . -108.69 23.0 15.17 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.921 1.388 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.583 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -94.83 -45.66 7.22 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' H ' HD22 ' A' ' 13' ' ' ASN . 2.2 pttm -104.22 -34.39 8.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.063 1.477 . . . . 0.0 109.203 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 112.8 64.57 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 43.8 m-85 -167.32 154.58 8.74 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.921 1.012 . . . . 0.0 109.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.02 140.75 6.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.454 ' CE2' ' CE1' ' A' ' 31' ' ' PHE . 1.3 m-85 -89.45 121.19 31.45 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.904 1.003 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.423 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.3 mt -110.25 161.86 8.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -134.78 108.02 10.76 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 18.1 Cg_endo -74.96 141.08 26.32 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.503 2.802 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.494 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -51.8 -91.52 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.899 1.374 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.494 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 33.4 t70 -57.98 -12.3 3.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.43 ' O ' ' HG2' ' A' ' 23' ' ' PRO . . . -89.73 84.9 1.38 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -52.28 144.27 13.12 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.075 1.103 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER 92.74 -169.82 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' LYS . 5.2 p-10 -132.84 114.15 13.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.67 140.66 15.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.97 155.34 38.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.097 1.498 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.423 ' CG1' HG13 ' A' ' 21' ' ' ILE . 1.2 m -150.07 175.09 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.08 1.488 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -144.58 155.22 43.54 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.979 1.424 . . . . 0.0 109.226 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' C ' ' H ' ' A' ' 36' ' ' ALA . 5.7 p90 -63.36 -156.44 0.01 OUTLIER 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.073 1.483 . . . . 0.0 109.402 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 73.61 -48.46 0.67 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.092 1.495 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -75.21 4.52 6.84 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.92 1.387 . . . . 0.0 109.29 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.709 ' CD1' ' H ' ' A' ' 43' ' ' LYS . 1.1 pt -72.28 60.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.19 95.39 0.41 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.052 1.47 . . . . 0.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.43 ' HB3' ' CE ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 175.73 121.7 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 0.0 109.281 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t0 58.3 -91.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.933 1.396 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 171.73 153.76 9.38 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 t80 31.18 50.04 0.11 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.94 1.023 . . . . 0.0 109.379 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.709 ' H ' ' CD1' ' A' ' 37' ' ' ILE . 26.9 ttpp -64.45 136.65 57.29 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.424 . . . . 0.0 109.219 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -101.94 129.96 48.33 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.915 1.384 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 5.0 mt -86.77 153.88 21.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.965 1.416 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -137.86 159.01 43.15 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.004 1.44 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -76.68 100.37 5.37 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.008 1.442 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.42 54.22 0.45 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -122.06 143.59 49.42 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.043 1.084 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -101.22 103.18 14.2 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.916 1.385 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -113.29 -169.53 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.985 1.428 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.66 158.7 44.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.52 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -162.85 -157.8 0.46 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.989 1.431 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.619 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.3 t -121.44 29.65 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.985 1.428 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.619 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.8 mt 13.06 86.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.916 1.385 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 55' ' ' ILE . 1.9 mt-10 -177.34 133.96 0.18 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.881 1.363 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.633 ' HG ' ' H ' ' A' ' 61' ' ' GLY . 2.1 p -97.13 29.99 2.93 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.462 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.28 -49.48 2.15 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 176.75 -39.2 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.045 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.96 -44.42 7.19 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.041 1.463 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.633 ' H ' ' HG ' ' A' ' 57' ' ' SER . . . -179.46 -164.58 32.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 156.09 42.79 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.54 2.827 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.03 -159.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.414 ' HB1' ' CB ' ' A' ' 32' ' ' VAL . . . -74.52 -146.07 0.02 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.964 1.415 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.41 ' H ' ' HB3' ' A' ' 64' ' ' ALA . . . 133.44 98.07 0.64 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 60.13 62.36 1.64 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.95 1.029 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.65 101.01 5.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.049 1.468 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.99 139.43 50.69 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.952 1.408 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -45.3 160.93 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.033 1.458 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.411 0 O-C-N 125.028 1.455 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.55 160.85 13.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.027 1.075 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.518 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -120.47 140.04 51.99 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.437 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -71.88 167.29 20.34 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.941 1.4 . . . . 0.0 109.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.466 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.89 104.98 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.524 HG23 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -88.41 142.07 13.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.083 1.108 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 1.2 p -89.3 125.94 42.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.4 mttm -100.15 -41.59 7.06 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.08 1.487 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.445 ' CE3' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -131.57 159.37 38.41 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.43 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -173.71 119.71 0.29 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.862 1.351 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.652 HD22 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -90.76 125.73 35.79 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.902 1.376 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.498 ' HB1' ' CE1' ' A' ' 12' ' ' PHE . . . -105.3 28.46 7.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.011 1.444 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.99 -47.61 4.51 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.652 ' H ' HD22 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -98.72 -24.09 15.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.076 1.485 . . . . 0.0 109.365 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 103.17 43.9 1.82 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -118.3 160.09 22.24 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.064 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.423 ' HA3' ' CG2' ' A' ' 32' ' ' VAL . . . -145.48 141.4 9.78 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -117.56 109.61 16.91 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.9 1.0 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 32' ' ' VAL . 4.1 mt -102.66 150.33 6.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.06 1.475 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -114.66 140.7 25.66 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.916 1.385 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.45 ' C ' ' H ' ' A' ' 25' ' ' ASP . 18.1 Cg_endo -75.08 -165.07 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.528 2.819 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.708 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -67.24 0.51 2.73 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.06 1.475 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.708 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 31.3 t70 120.52 0.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.406 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -49.04 -17.14 0.84 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.8 t 98.77 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.977 1.045 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -48.93 151.97 1.14 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.39 115.99 21.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.425 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.482 ' HB ' ' H ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -101.95 132.73 47.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.513 ' CZ ' ' CB ' ' A' ' 63' ' ' ALA . 3.1 p90 -90.19 163.5 14.78 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.959 1.412 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.494 HG12 ' CD1' ' A' ' 21' ' ' ILE . 6.1 m -148.79 161.14 5.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.031 1.457 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -134.91 144.99 47.8 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 0.0 109.266 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.486 ' C ' ' H ' ' A' ' 36' ' ' ALA . 3.6 m-85 -42.95 -29.03 0.3 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.872 1.357 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -72.34 44.82 0.12 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.096 1.498 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.488 ' O ' ' CG2' ' A' ' 67' ' ' VAL . . . 174.45 74.48 0.0 OUTLIER 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.016 1.447 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.99 45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.991 1.432 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.493 ' HG2' ' HA ' ' A' ' 68' ' ' THR . 20.0 mm-40 37.73 37.25 0.11 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.964 1.415 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER 46.46 -163.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.432 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 2.6 t0 157.6 -47.55 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.971 1.419 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.24 -59.65 0.52 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -96.57 104.93 16.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.066 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -67.37 100.78 0.86 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.98 1.425 . . . . 0.0 109.323 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.48 136.68 7.52 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.468 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.25 165.18 29.12 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.922 1.389 . . . . 0.0 109.341 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.45 150.37 34.87 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -79.44 73.56 6.08 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.938 1.399 . . . . 0.0 109.234 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 152.32 63.79 0.01 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -133.82 152.6 51.92 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.888 0.993 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -95.96 124.18 39.87 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.951 1.407 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 52' ' ' SER . 1.7 m -129.08 162.71 35.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.25 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 51' ' ' VAL . 1.2 t -116.98 126.33 52.75 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.027 1.455 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 5' ' ' MET . 2.8 p90 -116.33 -175.73 2.81 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.063 1.477 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.446 ' HA ' ' CE ' ' A' ' 5' ' ' MET . 2.6 t -135.31 29.5 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.908 1.38 . . . . 0.0 109.248 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mt 40.07 86.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.032 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 1.5 mt-10 -102.38 166.22 10.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.077 1.486 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -104.71 139.28 39.76 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 124.933 1.396 . . . . 0.0 109.364 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.25 -110.21 2.06 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.25 -70.11 0.64 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.987 1.051 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -43.87 -42.26 5.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.985 1.428 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.54 -93.81 0.1 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 171.51 18.18 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.408 2.738 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.513 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . . . 175.93 86.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.201 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.482 ' H ' ' HB ' ' A' ' 30' ' ' VAL . . . -50.1 131.51 23.33 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -112.38 153.15 17.59 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 48.79 63.2 2.21 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.015 1.067 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.528 ' O ' HG21 ' A' ' 67' ' ' VAL . 30.9 m -86.75 103.63 13.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.019 1.449 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.493 ' HA ' ' HG2' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -91.94 125.78 36.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 p -86.32 126.53 34.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.411 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.406 0 O-C-N 125.008 1.443 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.445 ' HZ1' ' HB3' ' A' ' 4' ' ' LYS . 3.2 mtpm? -99.93 158.62 15.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.087 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 3.8 ptp -156.92 164.69 37.77 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.061 1.476 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.417 HG23 ' CD1' ' A' ' 70' ' ' LEU . 31.6 p -78.29 172.66 13.26 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.456 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . 162.26 127.93 0.91 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.482 HD12 ' HZ3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -83.46 141.28 15.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.029 1.076 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.506 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 2.6 p -98.9 135.45 33.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.441 . . . . 0.0 109.217 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' CE ' ' HA2' ' A' ' 48' ' ' GLY . 9.7 mttt -151.17 13.6 0.68 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.527 ' HB2' ' CB ' ' A' ' 20' ' ' PHE . 1.2 m-90 -143.18 29.14 1.48 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.506 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -83.18 117.59 23.02 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.063 1.477 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -126.49 89.05 2.94 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.026 1.454 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.96 20.3 0.37 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.879 1.362 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -105.97 -65.11 1.09 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.107 1.504 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.569 ' CD ' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.02 -42.12 98.83 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.467 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 121.34 52.7 0.23 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 16.5 m-85 -170.76 168.55 7.3 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.12 1.129 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 12' ' ' PHE . . . -170.36 110.18 0.36 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -91.34 152.4 20.46 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.019 1.07 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.53 HD12 ' CG1' ' A' ' 67' ' ' VAL . 34.1 mt -132.67 161.63 41.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.834 1.334 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.434 ' OG1' ' CH2' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -115.45 117.79 40.24 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.979 1.424 . . . . 0.0 109.258 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 -159.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.432 2.754 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -133.27 -5.22 3.01 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -44.4 -84.22 0.01 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.033 1.458 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.45 53.96 0.41 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 76.37 127.06 0.04 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.065 1.097 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HZ1' ' HG3' ' A' ' 28' ' ' LYS . 1.8 mtmm 169.97 -172.03 0.03 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.006 1.441 . . . . 0.0 109.358 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.452 ' OD2' ' CE1' ' A' ' 20' ' ' PHE . 6.6 p-10 -153.66 113.6 3.89 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.67 128.85 44.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -78.72 145.65 34.36 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.009 1.443 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG1' ' C ' ' A' ' 31' ' ' PHE . 1.7 m -152.56 162.88 2.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.098 1.499 . . . . 0.0 109.216 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -116.31 138.14 51.57 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.068 1.48 . . . . 0.0 109.268 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' ALA . 6.5 p90 -61.87 -160.94 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.929 1.393 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 17.46 0.33 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' PHE . . . -127.23 10.9 6.9 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.468 . . . . 0.0 109.211 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 9.8 tt -77.92 179.86 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.642 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 20.9 mm-40 -91.95 32.21 1.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.007 1.442 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.91 171.61 0.07 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.96 1.413 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.9 t0 179.73 37.41 0.0 OUTLIER 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.984 1.428 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.59 -51.62 1.86 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -124.83 119.15 28.03 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.113 1.125 . . . . 0.0 109.285 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 94.4 0.02 OUTLIER 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.937 1.398 . . . . 0.0 109.247 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -166.54 160.94 15.72 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.937 1.398 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.644 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 2.7 tp -138.7 162.94 33.42 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.036 1.46 . . . . 0.0 109.366 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.0 103.86 13.39 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.943 1.402 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.97 103.53 0.07 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.074 1.484 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.497 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 115.95 51.01 0.42 Allowed Glycine 0 C--N 1.344 1.0 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.536 ' NE2' ' CG1' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -137.19 154.02 50.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.924 1.014 . . . . 0.0 109.243 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.91 126.8 33.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.951 1.407 . . . . 0.0 109.374 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.536 ' CG1' ' NE2' ' A' ' 49' ' ' GLN . 27.2 m -136.1 -162.42 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.15 -176.05 4.66 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.939 1.399 . . . . 0.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 47.8 p90 -170.29 163.92 8.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.59 HG21 ' HB3' ' A' ' 64' ' ' ALA . 2.7 t -113.94 60.02 0.67 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.087 1.492 . . . . 0.0 109.21 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER -27.84 132.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.014 1.446 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.07 119.89 28.78 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -94.67 127.83 40.92 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.036 1.46 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.05 -32.42 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.0 -152.41 0.51 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.035 1.079 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.422 ' HZ3' ' HB3' ' A' ' 60' ' ' LYS . 3.2 ttpp -112.63 82.89 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 154.65 131.8 1.54 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 117.18 4.79 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.447 2.765 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.46 154.92 12.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.057 1.473 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.59 ' HB3' HG21 ' A' ' 54' ' ' THR . . . -174.79 -156.5 0.06 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.967 1.417 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.459 ' H ' HG21 ' A' ' 54' ' ' THR . . . -128.05 -142.64 5.5 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.553 ' HB2' HG23 ' A' ' 54' ' ' THR . 10.0 m120 56.87 55.76 5.94 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.065 . . . . 0.0 109.399 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.53 ' CG1' HD12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -91.69 99.46 9.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.921 1.388 . . . . 0.0 109.293 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 38' ' ' GLN . 4.1 t -119.34 151.3 38.7 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.934 1.396 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.3 p -86.82 130.99 34.24 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.043 1.464 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' CD1' HG23 ' A' ' 6' ' ' THR . 17.2 mt . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.98 1.425 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -108.93 -155.68 0.56 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.953 1.031 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.476 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -88.36 150.93 22.93 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.431 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -77.75 168.99 19.06 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.122 1.514 . . . . 0.0 109.314 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 132.84 1.41 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.47 ' CG2' ' HZ3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -98.66 143.83 12.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.065 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.429 ' HB ' ' CD1' ' A' ' 21' ' ' ILE . 2.4 p -83.73 142.06 13.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -34.49 6.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.025 1.453 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -139.9 133.87 30.82 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 125.046 1.466 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -138.0 118.91 14.24 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 0.0 109.254 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.57 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 12.2 m120 -138.1 57.06 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.99 1.431 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 34' ' ' PHE . . . -73.22 68.53 1.02 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.915 1.384 . . . . 0.0 109.339 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -168.67 -29.85 0.02 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.056 1.473 . . . . 0.0 109.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -100.77 -60.25 1.56 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.037 1.461 . . . . 0.0 109.263 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' H ' ' HG3' ' A' ' 16' ' ' LYS . . . -151.07 30.03 0.99 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CG ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER 83.23 -163.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.928 1.017 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.39 177.58 19.72 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -132.35 135.97 46.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.058 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 3.2 mt -108.74 158.99 8.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.08 110.22 34.83 Favored Pre-proline 0 C--O 1.241 0.628 0 O-C-N 124.992 1.433 . . . . 0.0 109.211 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 18.1 Cg_endo -75.08 168.26 25.17 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.481 2.787 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -114.53 -45.94 2.99 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.438 . . . . 0.0 109.194 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -96.24 -18.76 19.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 -86.94 0.08 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.05 1.088 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 8.2 mttp -104.38 -172.62 2.14 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.947 1.405 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -90.56 145.02 25.21 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.541 ' CG1' HG21 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -117.64 163.58 14.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 125.004 1.44 . . . . 0.0 109.316 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.509 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 3.2 p90 -90.1 152.0 21.34 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.037 1.461 . . . . 0.0 109.355 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -158.29 153.83 5.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.224 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 5.4 p80 -111.39 177.97 4.49 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' C ' ' H ' ' A' ' 36' ' ' ALA . 2.7 p90 -69.29 -22.33 63.81 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.997 1.435 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.511 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -77.71 39.06 0.27 Allowed 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.934 1.396 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -169.81 66.93 0.05 Allowed 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.064 1.478 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.548 ' HA ' HG13 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -143.64 60.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.962 1.413 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.853 ' H ' ' NE2' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -41.55 99.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.011 1.444 . . . . 0.0 109.374 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 37' ' ' ILE . 42.7 p-10 -165.54 -144.0 0.07 Allowed 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.05 1.469 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-20 -35.17 -79.17 0.01 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.024 1.452 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.78 -38.17 0.24 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.503 ' O ' ' C ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -79.31 48.7 0.91 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.008 1.064 . . . . 0.0 109.266 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HA ' ' CG2' ' A' ' 37' ' ' ILE . 0.0 OUTLIER 27.25 -136.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.071 1.482 . . . . 0.0 109.323 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.414 ' H ' ' HB2' ' A' ' 43' ' ' LYS . 0.6 OUTLIER 67.99 116.07 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD2' HG13 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -102.69 -157.32 0.6 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.082 1.489 . . . . 0.0 109.298 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -150.89 165.39 33.79 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.034 1.459 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -91.87 100.36 13.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.867 1.354 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.23 80.07 1.5 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' NE2' ' CB ' ' A' ' 69' ' ' SER . 47.4 tt0 -151.69 129.31 11.5 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.044 1.085 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HZ3' ' CG2' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -72.06 133.75 45.43 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.072 1.483 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.6 171.93 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.19 126.62 46.44 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.567 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -144.78 -170.44 3.4 Favored 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.015 1.447 . . . . 0.0 109.326 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.444 ' O ' HG21 ' A' ' 54' ' ' THR . 1.4 t -122.22 95.31 4.6 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.951 1.407 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 53' ' ' PHE . 3.5 mp -70.95 67.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.058 1.474 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -179.73 127.45 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.0 t 66.67 140.11 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 0.0 109.342 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.537 ' HA3' ' CB ' ' A' ' 63' ' ' ALA . . . 175.88 -40.08 0.11 Allowed Glycine 0 C--N 1.346 1.134 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.77 -78.06 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.047 1.086 . . . . 0.0 109.379 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -83.57 -63.2 1.4 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.085 1.491 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.436 ' H ' ' HG2' ' A' ' 60' ' ' LYS . . . -145.83 -96.26 0.19 Allowed Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.47 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.8 Cg_endo -74.93 135.95 19.9 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.532 2.821 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.537 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . . . -158.88 159.47 35.04 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . . . -107.64 84.15 1.91 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.063 1.477 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.56 166.66 16.06 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' HG23 ' A' ' 54' ' ' THR . 1.7 t-20 61.87 39.98 13.12 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.953 1.031 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.567 ' CG2' ' HB3' ' A' ' 53' ' ' PHE . 1.1 t -69.32 157.86 6.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 0.0 109.356 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.93 124.61 0.78 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.444 . . . . 0.0 109.374 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.426 ' CB ' ' NE2' ' A' ' 49' ' ' GLN . 56.3 p -66.93 132.44 47.97 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.042 1.464 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.346 0.432 0 O-C-N 124.924 1.39 . . . . 0.0 109.279 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.71 160.47 14.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.033 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.505 ' HG3' ' CD2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -138.75 155.4 48.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.45 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -89.74 166.73 13.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.977 1.423 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.31 135.52 1.83 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.76 164.72 2.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.063 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.528 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -104.23 129.03 57.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.035 1.459 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -102.9 -38.7 7.27 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -126.49 135.86 51.88 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.441 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.521 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -153.43 151.3 29.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.086 1.491 . . . . 0.0 109.221 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.565 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -160.44 87.53 0.77 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.071 1.482 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.1 59.56 1.39 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.887 1.367 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -167.88 -36.39 0.02 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.944 1.402 . . . . 0.0 109.234 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.565 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -93.05 -49.87 5.8 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.884 1.365 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.06 -90.92 0.08 OUTLIER Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -146.26 -172.07 3.86 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.071 . . . . 0.0 109.224 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.508 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -122.11 162.97 15.68 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -124.27 111.29 15.66 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 124.99 1.053 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -84.47 165.17 2.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.906 1.379 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.485 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.61 137.49 23.97 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 125.006 1.441 . . . . 0.0 109.269 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.548 ' CG ' ' H ' ' A' ' 28' ' ' LYS . 18.6 Cg_endo -75.02 -159.89 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.504 2.803 . . . . 0.0 111.013 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.709 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 1.9 p-10 -43.71 -27.57 0.33 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.709 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 27.6 t70 120.28 0.12 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 0.0 109.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.89 46.92 1.04 Allowed Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.63 -81.03 0.21 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.971 1.042 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.548 ' H ' ' CG ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER 169.91 139.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.982 1.426 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.76 135.11 49.35 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.966 1.416 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.96 128.11 60.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.052 1.47 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -88.29 144.28 26.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.982 1.426 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p -160.17 151.15 5.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.112 1.507 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.648 ' CE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.7 OUTLIER -79.6 111.1 15.55 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.648 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 9.8 m-85 73.69 -24.24 0.21 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.58 ' H ' ' C ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER 85.7 30.65 0.04 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.976 1.422 . . . . 0.0 109.276 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.595 ' HB2' ' H ' ' A' ' 67' ' ' VAL . . . 37.14 54.69 1.27 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.945 1.403 . . . . 0.0 109.35 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.434 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 0.5 OUTLIER -72.09 61.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.871 1.357 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.544 ' H ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -42.79 96.27 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 O-C-N 124.967 1.417 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.41 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 2.3 t-20 -166.11 -173.44 2.6 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.926 1.391 . . . . 0.0 109.23 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -105.15 0.0 OUTLIER 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.018 1.449 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -68.64 72.46 0.36 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.532 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.9 p90 31.31 47.94 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.049 . . . . 0.0 109.349 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER 23.99 -136.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 0.0 109.247 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.17 164.36 7.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.997 1.436 . . . . 0.0 109.406 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD13 ' CD1' ' A' ' 12' ' ' PHE . 85.6 mt -135.04 142.74 46.43 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.883 1.364 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 p30 -116.71 27.81 8.94 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.95 1.406 . . . . 0.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 42.52 53.4 4.68 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.58 70.53 0.01 OUTLIER Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.646 HE21 ' CG1' ' A' ' 51' ' ' VAL . 12.9 pt20 -150.32 143.92 25.2 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.068 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 2.4 tttp -78.72 133.34 37.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.448 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.646 ' CG1' HE21 ' A' ' 49' ' ' GLN . 1.7 m -151.12 -175.44 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.01 1.443 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.554 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -130.89 173.69 10.72 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.024 1.452 . . . . 0.0 109.258 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CD2' ' HG3' ' A' ' 5' ' ' MET . 0.1 OUTLIER -152.66 175.48 12.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.996 1.435 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.545 HG23 ' CB ' ' A' ' 66' ' ' ASN . 2.8 t -121.64 29.34 7.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.98 1.425 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt 60.83 160.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.034 1.458 . . . . 0.0 109.237 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -179.17 171.75 1.3 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.881 1.363 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.473 ' HA ' ' H ' ' A' ' 63' ' ' ALA . 1.3 t -152.34 133.4 14.24 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.916 1.385 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.1 -112.58 3.45 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.82 -75.18 0.58 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.994 1.056 . . . . 0.0 109.294 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -98.51 76.04 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.06 1.475 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.66 153.84 9.19 Favored Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 132.27 15.35 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.578 2.852 . . . . 0.0 111.011 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.473 ' H ' ' HA ' ' A' ' 57' ' ' SER . . . -95.26 169.36 10.14 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.474 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . . . -109.97 172.73 6.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.467 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -165.81 153.07 22.8 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.545 ' CB ' HG23 ' A' ' 54' ' ' THR . 1.8 t-20 44.0 53.35 6.42 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.913 1.008 . . . . 0.0 109.24 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.595 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -86.17 100.03 8.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.946 1.404 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.25 122.75 32.14 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.958 1.411 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.421 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 96.9 p -74.39 136.88 42.43 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.079 1.487 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.345 0.402 0 O-C-N 125.012 1.445 . . . . 0.0 109.327 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HZ1' ' HB2' ' A' ' 4' ' ' LYS . 8.9 mtmm -108.56 160.09 16.19 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.081 1.106 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.25 170.59 17.56 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.953 1.408 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -63.21 160.45 15.57 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.029 1.455 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 170.33 106.56 0.19 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.549 HG23 ' CD ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -80.76 132.86 30.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.033 1.078 . . . . 0.0 109.335 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.503 ' CG1' ' HA ' ' A' ' 46' ' ' ASP . 2.8 p -75.58 127.91 37.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 O-C-N 124.94 1.4 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 7.8 mttt -75.53 -84.76 0.05 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.915 1.384 . . . . 0.0 109.251 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.421 ' C ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -140.89 162.16 36.1 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.992 1.432 . . . . 0.0 109.314 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.579 ' HB3' ' CB ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -134.82 157.45 46.74 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.06 1.475 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.684 HD22 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -158.85 143.11 15.57 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -114.93 46.44 1.42 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.054 1.471 . . . . 0.0 109.22 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HB3' HD22 ' A' ' 13' ' ' ASN . 1.8 t70 -154.78 -64.8 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.256 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.684 ' H ' HD22 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -50.31 -49.89 52.29 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.053 1.471 . . . . 0.0 109.327 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.495 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 148.89 44.23 0.03 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.664 ' CD1' ' CD2' ' A' ' 33' ' ' HIS . 0.6 OUTLIER 83.88 -164.05 0.01 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.013 1.066 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.96 -159.39 8.92 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -137.6 160.5 39.01 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.027 1.075 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG2' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -113.49 169.35 5.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 125.007 1.442 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.554 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.92 113.45 7.67 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 125.046 1.466 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.77 6.83 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.583 2.855 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -36.89 0.23 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 125.029 1.455 . . . . 0.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.662 ' C ' ' H ' ' A' ' 27' ' ' SER . 43.8 t0 179.24 -111.98 0.0 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.006 1.441 . . . . 0.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.6 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . 66.19 -36.79 0.15 Allowed Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.662 ' H ' ' C ' ' A' ' 25' ' ' ASP . 4.9 t 100.31 155.76 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.902 1.001 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mttm 80.14 -169.64 0.04 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -152.62 139.34 18.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.98 121.97 44.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.04 1.462 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.16 155.04 0.05 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 0.0 109.267 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG12 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -156.42 149.84 10.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.969 1.418 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 18' ' ' PHE . 38.2 t-80 -151.51 158.27 43.38 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.046 1.466 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 33' ' ' HIS . 6.5 p90 -61.75 174.69 0.76 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.112 1.508 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.2 t 95.0 -38.49 0.01 OUTLIER 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.935 1.397 . . . . 0.0 109.215 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.25 14.17 30.83 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.011 1.445 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.1 pt -92.96 60.23 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.996 1.435 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' H ' ' NE2' ' A' ' 38' ' ' GLN . 3.3 mp0 -41.44 95.78 0.01 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.903 1.377 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.6 t-20 -153.76 44.94 0.6 Allowed 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.936 1.398 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.1 t70 60.12 -95.26 0.05 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.914 1.384 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.549 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -128.17 -91.31 0.7 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.1 t80 31.26 52.1 0.16 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.07 . . . . 0.0 109.265 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 139.56 1.46 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.999 1.437 . . . . 0.0 109.317 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 79.46 118.04 0.06 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.91 1.381 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.518 HD11 ' H ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -140.49 -170.25 2.96 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.094 1.496 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.647 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 2.1 t0 84.23 157.07 0.1 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.075 1.484 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.7 tt0 138.11 5.65 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.07 49.29 0.42 Allowed Glycine 0 C--N 1.346 1.103 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -106.46 161.29 14.73 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.038 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.549 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -108.03 108.34 19.4 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.981 1.425 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG21 ' N ' ' A' ' 52' ' ' SER . 1.8 m -126.36 -167.63 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.896 1.372 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.471 ' N ' HG21 ' A' ' 51' ' ' VAL . 3.1 m -124.26 178.16 5.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.963 1.414 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 3.8 p90 -166.49 -177.86 4.19 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.939 1.399 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.6 85.26 2.03 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.486 HG13 ' CE1' ' A' ' 53' ' ' PHE . 23.1 mt -38.62 107.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.918 1.386 . . . . 0.0 109.241 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.88 -170.49 2.19 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -133.84 126.42 30.47 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.855 1.347 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.93 -89.35 1.91 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.249 -1.541 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.95 -77.99 0.59 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.078 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.86 76.66 1.74 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.052 1.47 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.07 159.96 8.46 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 162.46 36.73 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.466 2.777 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.18 148.78 27.3 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.998 1.436 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.96 117.13 34.39 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.007 1.442 . . . . 0.0 109.256 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -112.02 169.95 13.37 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 43.31 58.19 3.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.978 1.046 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.02 99.8 7.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.96 1.413 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.1 136.86 46.23 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.985 1.428 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.421 ' HA ' HG13 ' A' ' 51' ' ' VAL . 2.4 p -44.6 161.31 0.03 OUTLIER 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.915 1.385 . . . . 0.0 109.223 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.382 0 O-C-N 125.09 1.494 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.67 155.6 22.18 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.034 1.079 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.524 ' HG3' ' CD1' ' A' ' 53' ' ' PHE . 2.9 ptp -140.44 147.95 40.45 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.041 1.463 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.3 p -59.83 144.28 48.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.941 1.401 . . . . 0.0 109.212 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 122.51 0.88 Allowed Glycine 0 C--N 1.347 1.15 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.499 HG12 ' CG2' ' A' ' 22' ' ' THR . 0.3 OUTLIER -99.06 135.13 35.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.931 1.018 . . . . 0.0 109.373 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.502 HG11 ' H ' ' A' ' 48' ' ' GLY . 7.8 p -74.72 128.8 36.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.965 1.416 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.533 ' CE ' ' HE1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -88.19 -79.31 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.533 ' HE1' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -136.36 170.54 15.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 29.2 p90 -176.66 114.71 0.11 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.937 1.398 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.488 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 5.2 m-80 -81.8 118.08 22.6 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.977 1.423 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.48 26.07 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -106.54 -45.8 4.16 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.098 1.498 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' CB ' ' HZ3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -84.5 -37.02 21.82 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.461 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 106.89 69.0 0.69 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 92.7 m-85 -161.1 149.44 15.94 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.041 1.083 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.59 155.3 22.99 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -142.94 123.53 14.06 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.055 1.091 . . . . 0.0 109.354 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.65 145.92 23.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.047 1.467 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.499 ' CG2' HG12 ' A' ' 8' ' ' ILE . 11.1 t -113.13 142.69 27.8 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.993 1.433 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.41 ' HG2' ' H ' ' A' ' 27' ' ' SER . 18.5 Cg_endo -74.97 -160.28 0.1 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.94 -37.38 1.72 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.965 1.415 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -97.3 -29.31 13.62 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.026 1.454 . . . . 0.0 109.333 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.59 -115.67 0.07 OUTLIER Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.41 ' H ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER 175.65 -70.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.989 1.052 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 162.36 0.54 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.066 1.479 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.61 137.64 41.39 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 125.044 1.465 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 m -90.71 154.56 3.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.907 1.38 . . . . 0.0 109.253 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.503 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 18.7 p90 -89.21 140.83 29.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -160.56 166.63 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.914 1.384 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.643 ' CE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -111.78 82.08 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.455 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.643 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 2.3 m-85 77.78 -25.84 0.19 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.016 1.448 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.701 ' HG ' ' CG1' ' A' ' 67' ' ' VAL . 22.7 t 76.22 19.5 1.75 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.3 56.53 7.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.502 HG21 ' O ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -52.67 -179.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.034 1.459 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -117.27 61.43 0.74 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -128.56 160.1 33.45 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.1 -45.38 2.56 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -138.66 0.15 Allowed Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.16 120.42 7.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.071 . . . . 0.0 109.305 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -141.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.969 1.418 . . . . 0.0 109.381 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.54 164.65 0.09 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.057 1.473 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -105.27 -139.88 0.37 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.005 1.44 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.44 23.72 7.46 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 1.4 tt0 37.37 84.21 0.02 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.068 1.48 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.502 ' H ' HG11 ' A' ' 9' ' ' VAL . . . 99.13 90.12 2.0 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 25.6 tt0 -160.67 146.03 14.58 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.985 1.05 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -89.35 124.98 34.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.995 1.434 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.468 HG22 ' HB ' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -150.23 173.51 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 125.049 1.468 . . . . 0.0 109.359 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.95 106.7 18.99 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.0 1.438 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.524 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 0.5 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.563 HG22 ' HB2' ' A' ' 66' ' ' ASN . 1.6 p -129.41 100.59 5.62 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.009 1.443 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.521 HG13 ' CE2' ' A' ' 53' ' ' PHE . 8.9 mt -42.44 157.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.914 1.384 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -132.33 127.98 36.71 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.051 1.469 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -122.0 113.94 20.27 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.897 1.373 . . . . 0.0 109.354 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.66 -41.85 0.33 Allowed Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.19 -74.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.063 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -40.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.963 1.414 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.61 -169.98 12.59 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.48 2.787 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.503 ' HB1' ' CE1' ' A' ' 31' ' ' PHE . . . -139.92 178.16 7.45 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.949 1.405 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.47 ' H ' ' HB ' ' A' ' 32' ' ' VAL . . . -96.39 -153.05 0.4 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.995 1.434 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 66' ' ' ASN . . . 149.33 133.72 2.24 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.563 ' HB2' HG22 ' A' ' 54' ' ' THR . 71.8 m-20 56.54 109.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.081 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.701 ' CG1' ' HG ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -139.42 122.23 17.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 124.985 1.428 . . . . 0.0 109.219 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -118.33 119.44 34.65 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.995 1.435 . . . . 0.0 109.256 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.401 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 10.6 p -47.51 134.7 11.85 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.967 1.417 . . . . 0.0 109.218 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.985 1.428 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -164.68 1.11 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.004 1.061 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.4 ptp -165.37 157.25 14.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.41 . . . . 0.0 109.338 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -90.4 149.74 22.14 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.061 1.475 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -158.76 -155.02 7.43 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.489 HG23 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -149.37 140.72 17.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.986 1.05 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.31 136.3 27.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.047 1.467 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.19 -63.73 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.032 1.457 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.78 162.15 25.75 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.977 1.423 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -168.52 146.4 4.08 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.019 1.449 . . . . 0.0 109.347 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.5 ' CG ' ' CD ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -123.61 146.99 47.76 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.028 1.455 . . . . 0.0 109.342 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 34' ' ' PHE . . . -105.82 -53.38 2.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.448 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -63.65 -6.02 4.83 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.076 1.485 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.5 ' CD ' ' CG ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -130.79 -19.59 2.94 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.918 1.386 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 13' ' ' ASN . . . 54.33 73.68 0.39 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -130.68 31.04 4.59 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.049 . . . . 0.0 109.391 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' A' ' 12' ' ' PHE . . . -37.69 101.55 0.01 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.62 109.83 22.52 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.067 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.494 HG22 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -100.95 176.18 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.025 1.453 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.482 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -142.65 105.29 5.39 Favored Pre-proline 0 C--O 1.241 0.626 0 O-C-N 124.953 1.408 . . . . 0.0 109.237 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.31 0.23 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.501 2.801 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -136.59 -1.03 2.32 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 125.033 1.458 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.67 -44.62 9.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.35 44.14 0.05 OUTLIER Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.36 126.05 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.023 1.072 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 172.48 -172.78 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.13 1.519 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.54 124.79 5.69 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.427 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 3.0 m -101.76 111.64 32.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.95 1.406 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -90.41 124.65 35.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.042 1.463 . . . . 0.0 109.22 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 35' ' ' SER . 1.2 p -160.5 156.38 3.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.02 1.45 . . . . 0.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -64.97 83.92 0.04 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.998 1.437 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 12' ' ' PHE . 18.1 m-30 49.89 28.86 3.02 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.086 1.491 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.542 ' CB ' HG21 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 37.84 33.01 0.04 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.024 1.452 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.26 64.6 1.17 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.051 1.469 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.54 HG21 ' O ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -47.22 178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 0.0 109.248 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 67' ' ' VAL . 21.5 mm-40 -105.25 32.02 4.51 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.892 1.37 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.476 HD21 ' C ' ' A' ' 42' ' ' TYR . 13.0 p-10 -82.13 -176.55 6.22 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -154.46 32.45 0.42 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.093 1.496 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.39 -34.7 0.28 Allowed Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.602 ' C ' ' H ' ' A' ' 44' ' ' SER . 5.3 m-85 -101.21 88.0 3.38 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.99 1.053 . . . . 0.0 109.303 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.666 ' H ' ' CE ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.95 17.72 0.07 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.04 1.462 . . . . 0.0 109.35 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.602 ' H ' ' C ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -101.23 144.26 30.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.955 1.409 . . . . 0.0 109.328 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' A' ' 46' ' ' ASP . 14.3 tp -116.2 173.41 6.6 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.98 1.425 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 7.7 m-20 -81.69 89.72 6.28 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.052 1.47 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 7.5 pt-20 -50.23 98.42 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.956 1.41 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.04 72.79 1.21 Allowed Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -154.73 155.31 34.32 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.047 1.086 . . . . 0.0 109.252 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.489 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -76.74 114.01 15.03 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.119 1.512 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.64 145.91 26.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.74 174.82 7.06 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.494 ' CE2' HG22 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -170.24 -177.56 2.53 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.942 1.401 . . . . 0.0 109.383 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.0 t -113.47 69.39 0.7 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.068 1.48 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.9 OUTLIER -34.69 119.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.05 1.469 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.41 140.27 20.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.063 1.477 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 80.02 140.03 0.07 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.5 -167.41 24.99 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . 59.1 103.53 0.02 OUTLIER 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.961 1.036 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.0 tptp 96.38 -43.63 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.37 101.82 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 165.56 30.94 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.549 2.833 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.66 -173.84 4.52 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.395 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.67 -158.96 0.9 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.003 1.439 . . . . 0.0 109.302 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.28 173.14 40.06 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 41.78 77.75 0.05 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.951 1.03 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.542 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -93.02 161.62 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.928 1.392 . . . . 0.0 109.351 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -145.56 119.21 9.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.064 1.477 . . . . 0.0 109.334 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.63 127.17 31.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.344 0.352 0 O-C-N 124.975 1.422 . . . . 0.0 109.27 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 161.92 1.82 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.056 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.522 ' CE ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -117.02 156.26 27.82 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -76.84 147.85 36.89 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.062 1.476 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.589 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . -163.14 106.88 0.29 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.673 ' CG2' ' HZ1' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -84.59 125.43 40.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.949 1.029 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.615 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 3.3 p -65.06 143.8 15.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.869 1.356 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 15.8 mmtt -126.63 -66.12 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.995 1.434 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.504 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.97 71.95 1.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.993 1.433 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.706 ' CG ' ' O ' ' A' ' 12' ' ' PHE . 1.6 p90 -103.85 51.65 0.78 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.986 1.429 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -37.63 97.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.861 1.351 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 62.38 0.93 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.948 1.405 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -159.53 -72.07 0.08 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.044 1.465 . . . . 0.0 109.338 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 3.8 ptmt -130.8 -40.76 1.19 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . -52.37 -15.87 3.08 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 12.0 m-85 78.67 -159.42 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.0 1.059 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' C ' HG11 ' A' ' 32' ' ' VAL . . . -109.05 142.0 16.06 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.435 ' HE1' ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -149.94 113.85 5.09 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.893 0.996 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 22' ' ' THR . 66.5 mt -114.0 164.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -109.47 116.82 54.09 Favored Pre-proline 0 C--O 1.238 0.494 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.531 ' HD3' HG13 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.85 -159.48 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.557 2.838 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -147.2 -11.04 0.43 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.889 1.368 . . . . 0.0 109.179 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -130.02 -72.52 0.57 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.908 1.38 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.19 84.06 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p 57.72 -150.77 0.43 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.947 1.028 . . . . 0.0 109.352 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -138.16 48.03 1.98 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.878 1.361 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.435 ' CB ' ' HE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -162.52 145.88 11.41 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.098 1.499 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -163.55 109.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.069 1.481 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -68.61 143.51 54.82 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.968 1.418 . . . . 0.0 109.243 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.591 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -145.78 170.94 5.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.949 1.406 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.591 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.4 m-70 -136.82 142.51 42.89 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 125.048 1.467 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -57.6 -171.85 0.01 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m 68.03 6.72 5.36 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.949 1.405 . . . . 0.0 109.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 -18.58 9.0 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.937 1.398 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.503 ' O ' ' CG1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -71.07 60.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 35.6 40.3 0.08 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.447 . . . . 0.0 109.258 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 4.6 p-10 42.39 -160.39 0.01 OUTLIER 'General case' 0 C--O 1.242 0.658 0 O-C-N 125.054 1.471 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER 145.63 -52.24 0.01 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.901 1.376 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.06 -76.64 0.31 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -67.98 119.98 13.49 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.075 1.103 . . . . 0.0 109.267 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -40.73 101.72 0.02 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.44 . . . . 0.0 109.321 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.869 ' O ' ' O ' ' A' ' 45' ' ' LEU . 63.4 m -68.53 -154.81 0.02 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.985 1.428 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.869 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 32.18 117.95 0.0 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.953 1.408 . . . . 0.0 109.322 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.0 47.12 1.43 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.038 1.461 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 72.28 89.64 0.1 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 0.0 109.337 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.458 ' H ' HG11 ' A' ' 9' ' ' VAL . . . 106.78 100.27 2.65 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' HG2' ' CG1' ' A' ' 51' ' ' VAL . 1.9 tt0 -172.13 127.82 0.58 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 125.074 1.102 . . . . 0.0 109.358 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.673 ' HZ1' ' CG2' ' A' ' 8' ' ' ILE . 6.5 tttp -75.56 123.33 25.3 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.504 ' HA ' ' H ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -145.09 145.46 20.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 125.06 1.475 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.53 137.91 31.9 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.056 1.472 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.589 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -129.12 -164.99 1.45 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.939 1.4 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.522 ' HA ' ' CE ' ' A' ' 5' ' ' MET . 2.2 t -127.1 64.29 1.31 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 0.0 109.267 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.49 HG13 ' CE1' ' A' ' 53' ' ' PHE . 8.7 mt -38.38 114.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.997 1.435 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.34 163.68 31.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.228 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -105.44 135.67 46.4 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.921 1.388 . . . . 0.0 109.246 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.49 161.91 30.8 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 59.42 -86.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.904 1.002 . . . . 0.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 -42.33 0.18 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.03 -162.61 32.08 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -177.39 3.41 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.578 2.852 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.498 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . . . -167.96 161.58 12.94 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.09 1.494 . . . . 0.0 109.311 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.52 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -112.19 -147.43 0.42 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.907 1.379 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 66' ' ' ASN . . . 133.45 170.06 12.3 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.9 m-20 26.79 80.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.953 1.031 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -103.98 153.36 6.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 121.79 6.79 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.936 1.398 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.594 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -51.71 123.86 11.08 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 0.0 109.232 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.345 0.389 0 O-C-N 124.909 1.38 . . . . 0.0 109.259 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -85.94 -178.91 6.69 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.057 1.092 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.449 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -70.68 126.15 28.81 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.056 1.472 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -83.92 157.97 21.75 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.082 1.488 . . . . 0.0 109.205 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.477 ' HA3' ' CE1' ' A' ' 53' ' ' PHE . . . 175.56 138.46 2.81 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.506 HG23 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.89 166.66 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 124.971 1.042 . . . . 0.0 109.221 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.562 ' HB ' ' CG ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.39 146.41 15.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.013 1.446 . . . . 0.0 109.309 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HZ3' ' HG3' ' A' ' 10' ' ' LYS . 15.6 mmtp -115.79 -58.96 2.05 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.936 1.398 . . . . 0.0 109.22 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.17 131.05 53.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.061 1.476 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.98 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -107.49 152.92 23.58 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.524 ' C ' ' CE2' ' A' ' 34' ' ' PHE . 6.1 m-80 -142.86 105.63 4.51 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.993 1.433 . . . . 0.0 109.264 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HB1' ' CE2' ' A' ' 12' ' ' PHE . . . -105.41 10.12 33.45 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.942 1.401 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.59 -31.52 41.82 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.03 1.456 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -130.39 -19.66 3.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.988 1.43 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.06 64.88 1.34 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.9 m-85 -145.41 35.13 1.07 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.09 . . . . 0.0 109.28 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 34' ' ' PHE . . . -33.57 130.05 0.39 Allowed Glycine 0 C--N 1.344 1.015 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.62 110.45 21.6 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.046 1.086 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.578 HG13 ' CG1' ' A' ' 32' ' ' VAL . 1.2 mt -100.7 163.42 3.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.032 1.458 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 8' ' ' ILE . 1.1 m -128.04 112.52 20.16 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.92 1.388 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -175.55 2.39 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.523 2.815 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -94.94 -39.5 10.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.466 . . . . 0.0 109.254 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.411 ' H ' ' H ' ' A' ' 26' ' ' GLY . 10.2 p-10 -165.04 -1.88 0.03 OUTLIER 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.068 1.48 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' A' ' 25' ' ' ASP . . . -83.52 76.75 2.2 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.85 -164.15 0.04 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.096 . . . . 0.0 109.323 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.95 -169.9 1.62 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.032 1.457 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.27 128.8 4.8 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.007 1.442 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -119.04 141.17 40.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.422 . . . . 0.0 109.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 17.4 p90 -89.98 151.85 21.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.578 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -153.17 145.71 14.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.935 1.397 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.508 ' HD1' ' N ' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -80.62 132.26 35.6 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.024 1.453 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.98 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 19.0 m-30 -71.54 44.8 0.1 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.044 1.465 . . . . 0.0 109.233 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 33' ' ' HIS . 2.0 t -108.29 -2.55 19.16 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.075 1.484 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 24.11 3.94 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.96 1.413 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 60.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.914 1.383 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' H ' HE21 ' A' ' 38' ' ' GLN . 0.5 OUTLIER -42.68 97.72 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.436 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 162.16 102.0 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.981 1.425 . . . . 0.0 109.262 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -86.84 122.89 31.34 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.063 1.477 . . . . 0.0 109.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.89 -142.56 7.46 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -58.32 120.28 8.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.965 1.038 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -68.62 72.44 0.22 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.995 1.434 . . . . 0.0 109.362 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -170.1 129.09 0.9 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -167.5 1.64 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.044 1.465 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.562 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 3.0 m-20 58.6 -176.44 0.08 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.988 1.43 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 29.6 tt0 89.48 29.28 0.02 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.82 73.67 1.27 Allowed Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.179 -1.569 . . . . 0.0 109.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' HG3' ' CG1' ' A' ' 51' ' ' VAL . 1.4 tp-100 -148.54 124.54 10.68 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.998 1.058 . . . . 0.0 109.389 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' CG ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -81.77 114.52 20.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.957 1.411 . . . . 0.0 109.306 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.417 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 2.7 m -120.74 -168.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.886 1.366 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.15 140.88 25.7 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.024 1.453 . . . . 0.0 109.371 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -134.34 -157.21 0.79 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.005 1.441 . . . . 0.0 109.414 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 55' ' ' ILE . 2.6 t -143.28 27.69 1.56 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.054 1.471 . . . . 0.0 109.385 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.524 ' CG2' ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER 52.42 169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.932 1.395 . . . . 0.0 109.21 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.1 mm-40 -145.26 -139.57 0.1 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.89 1.369 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 80.29 104.4 0.07 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.002 1.438 . . . . 0.0 109.204 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.02 -34.07 1.42 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.82 -41.17 3.62 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.994 1.055 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HG2' ' H ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -179.2 -58.42 0.01 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.085 1.49 . . . . 0.0 109.348 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.488 ' H ' ' HG2' ' A' ' 60' ' ' LYS . . . -52.63 112.04 1.92 Allowed Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.488 ' O ' ' CZ ' ' A' ' 31' ' ' PHE . 18.6 Cg_endo -74.87 162.17 37.82 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.568 2.845 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 31' ' ' PHE . . . -174.41 -160.31 0.1 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.284 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.02 147.91 33.14 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.919 1.387 . . . . 0.0 109.357 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.69 160.78 21.04 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.244 -1.543 . . . . 0.0 109.244 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 46.86 64.73 1.43 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.056 . . . . 0.0 109.355 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.82 112.98 25.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.374 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.88 136.26 54.13 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.995 1.434 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 p -70.52 127.61 33.31 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.957 1.41 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.975 1.422 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 162.55 15.67 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.015 1.067 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.521 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -112.29 136.61 51.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.99 1.431 . . . . 0.0 109.274 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 31.6 p -79.85 161.2 25.75 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.927 1.392 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 174.46 127.64 1.02 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.564 HG23 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -91.49 144.48 9.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.047 1.086 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -104.13 160.34 4.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.066 1.479 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 9.7 mtmt -158.46 -23.3 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.942 1.402 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.505 ' CZ3' ' HB2' ' A' ' 10' ' ' LYS . 7.9 m-90 -94.92 25.21 4.26 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.036 1.46 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CZ ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -80.25 136.65 36.5 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.013 1.446 . . . . 0.0 109.357 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.553 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -143.14 115.04 8.25 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 0.0 109.288 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.18 22.66 13.67 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.033 1.458 . . . . 0.0 109.224 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.553 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 3.0 t0 -88.23 -45.15 10.31 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.6 -30.42 9.03 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 109.53 55.0 0.56 Allowed Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.447 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 23.1 m-85 -169.21 157.46 7.66 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.001 1.059 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.91 -179.23 47.16 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CZ ' ' CB ' ' A' ' 31' ' ' PHE . 10.0 m-85 -137.47 161.15 37.13 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.084 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.545 ' HB ' ' CG2' ' A' ' 30' ' ' VAL . 2.6 mt -122.08 158.8 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.038 1.461 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.4 113.92 36.63 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.064 1.478 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 104.02 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.506 2.804 . . . . 0.0 110.996 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -48.65 -36.74 16.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -82.32 -35.38 27.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.031 1.457 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 23' ' ' PRO . . . -84.08 -135.24 2.87 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.0 p -169.41 -40.8 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.06 . . . . 0.0 109.374 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.24 -169.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -129.68 112.03 13.26 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.988 1.43 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.545 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 27.4 m -78.01 132.09 33.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 125.002 1.438 . . . . 0.0 109.381 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 1.9 p90 -85.9 133.75 33.93 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.02 1.45 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -150.56 166.2 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.01 1.443 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -111.6 128.58 56.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.962 1.414 . . . . 0.0 109.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CE1' ' HE3' ' A' ' 43' ' ' LYS . 97.2 m-85 56.38 23.97 7.91 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.079 1.487 . . . . 0.0 109.293 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER 73.01 24.18 2.58 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 37.23 35.43 0.05 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.05 1.469 . . . . 0.0 109.25 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.551 ' CG2' HD11 ' A' ' 45' ' ' LEU . 4.3 pt -53.72 179.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.053 1.47 . . . . 0.0 109.289 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.11 41.74 1.42 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.97 151.09 19.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.064 1.477 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.37 117.09 15.79 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.022 1.451 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 63.03 -98.0 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.541 ' C ' ' O ' ' A' ' 41' ' ' GLY . 7.4 m-85 31.1 72.63 0.06 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.053 . . . . 0.0 109.28 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 2.2 mmtm -59.92 91.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.917 1.385 . . . . 0.0 109.229 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.868 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -113.92 -156.14 0.59 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.976 1.423 . . . . 0.0 109.366 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.868 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 32.28 118.15 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.929 1.393 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HB2' ' H ' ' A' ' 47' ' ' GLU . 4.5 p30 -84.83 -152.99 0.15 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 3.5 pt-20 -99.33 80.11 2.38 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.65 65.62 0.04 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 5.9 mt-30 -135.77 141.99 44.87 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.091 1.112 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' CG ' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -91.57 121.95 33.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 125.006 1.441 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.37 165.7 20.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -102.69 119.31 38.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.628 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -106.01 -166.7 1.22 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 0.0 109.251 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.8 t -121.76 29.4 7.16 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.472 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.64 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.0 mt 5.31 93.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.425 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.63 170.49 15.72 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.096 1.498 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 p -115.23 139.79 49.65 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.965 1.416 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.39 -88.52 1.25 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -133.2 85.7 2.24 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.97 1.041 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 85.92 -31.68 0.05 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.55 175.27 19.42 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.02 -175.83 2.57 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.569 2.846 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.87 163.84 0.35 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.014 1.446 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.503 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . . . -119.58 -149.13 0.43 Allowed 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.971 1.419 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.887 ' O ' ' HB2' ' A' ' 66' ' ' ASN . . . 131.42 94.28 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.887 ' HB2' ' O ' ' A' ' 65' ' ' GLY . 77.0 m-20 102.48 69.89 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.075 1.103 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.628 ' CG1' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -113.22 132.88 60.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 125.097 1.498 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.97 119.98 38.36 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.017 1.448 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -52.14 148.31 6.47 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.079 1.487 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.425 HD12 ' HZ3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.992 1.432 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 162.24 17.73 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.003 1.061 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.97 144.98 39.19 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.491 ' HA ' ' HG ' ' A' ' 52' ' ' SER . 31.8 p -82.25 158.59 23.45 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.433 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.498 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.02 130.03 1.29 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.411 ' HA ' ' H ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -89.59 144.96 8.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.051 . . . . 0.0 109.259 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 21' ' ' ILE . 3.5 p -86.37 146.43 6.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.044 1.465 . . . . 0.0 109.433 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mttt -116.94 -37.25 3.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -152.01 146.3 25.47 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.295 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 172.35 154.09 0.08 Allowed 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.928 1.392 . . . . 0.0 109.352 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.75 ' H ' ' CA ' ' A' ' 18' ' ' PHE . 5.6 t-20 78.4 -169.67 0.05 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.934 1.396 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.703 ' C ' ' H ' ' A' ' 16' ' ' LYS . . . 44.35 18.61 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' N ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER 63.61 -14.95 0.07 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.976 1.423 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.703 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -50.92 -22.91 2.48 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.946 1.404 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.89 -14.81 0.02 OUTLIER Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.75 ' CA ' ' H ' ' A' ' 13' ' ' ASN . 5.5 m-85 63.8 -78.68 0.03 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.025 1.074 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.484 ' CA ' HG11 ' A' ' 32' ' ' VAL . . . -124.22 113.55 2.06 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -151.38 108.84 3.61 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.07 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.488 ' CG1' HG21 ' A' ' 9' ' ' VAL . 11.5 mt -124.39 159.92 29.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.427 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.02 139.78 36.66 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.032 1.458 . . . . 0.0 109.253 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -177.6 3.6 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.471 2.781 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -41.42 -34.62 0.56 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 0.0 109.396 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' A' ' 26' ' ' GLY . 2.4 p-10 173.82 -110.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.459 ' H ' ' CG ' ' A' ' 25' ' ' ASP . . . 62.95 -79.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.081 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.4 OUTLIER 159.53 170.67 0.01 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.041 1.083 . . . . 0.0 109.429 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 65.76 -175.11 0.18 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.968 1.417 . . . . 0.0 109.313 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -160.04 129.56 5.21 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.0 1.437 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 30' ' ' VAL . 1.9 m -71.86 119.77 18.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.117 1.511 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -85.62 162.43 18.84 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.441 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -160.51 170.02 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.44 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.56 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.9 t60 -142.24 145.48 34.12 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.011 1.444 . . . . 0.0 109.398 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.545 ' O ' ' CB ' ' A' ' 35' ' ' SER . 7.4 m-85 -42.44 158.7 0.03 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.934 1.396 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.3 t 94.95 -14.32 0.1 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.42 14.95 7.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.738 HG12 ' H ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.94 179.66 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.738 ' H ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -118.39 99.36 6.79 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 178.02 159.13 0.48 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.985 1.428 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -143.57 122.26 12.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.034 1.459 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 85.6 143.81 7.04 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 31.11 62.74 0.22 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.952 1.03 . . . . 0.0 109.246 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HG3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.51 105.28 4.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.952 1.408 . . . . 0.0 109.332 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -170.25 129.35 0.89 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.0 1.438 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 8.0 tp -101.56 173.81 6.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.78 124.18 48.43 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.017 1.448 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.6 107.5 0.22 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.911 1.382 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 85.57 1.88 Allowed Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 50' ' ' LYS . 38.2 tt0 -160.81 162.42 32.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.087 1.11 . . . . 0.0 109.244 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -91.38 118.71 30.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.985 1.428 . . . . 0.0 109.223 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.411 ' H ' ' HA ' ' A' ' 8' ' ' ILE . 4.4 m -127.64 -161.57 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.953 1.408 . . . . 0.0 109.358 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.491 ' HG ' ' HA ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -144.77 176.82 9.16 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.046 1.466 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.498 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -168.76 -156.6 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.985 1.428 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.4 t -152.48 29.61 0.54 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.013 1.445 . . . . 0.0 109.255 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' THR . 5.5 mt 31.07 90.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' H ' ' A' ' 65' ' ' GLY . 1.7 mm-40 -65.81 -139.01 0.0 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.976 1.422 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.56 ' CA ' ' HA ' ' A' ' 62' ' ' PRO . 1.3 p 80.94 120.53 0.05 OUTLIER 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.977 1.423 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 59' ' ' ALA . . . -161.26 -19.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -122.96 27.09 7.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.989 1.052 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 90.8 -19.03 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.03 1.456 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.29 106.44 2.76 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.56 ' HA ' ' CA ' ' A' ' 57' ' ' SER . 18.1 Cg_endo -75.05 175.18 11.58 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.562 2.841 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 177.36 -161.53 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 O-C-N 124.947 1.405 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.568 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . . . -138.71 102.02 4.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' C ' ' A' ' 66' ' ' ASN . . . -97.27 -177.28 34.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 125.13 1.519 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.525 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.6 m-20 25.69 57.97 0.06 Allowed 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.966 1.039 . . . . 0.0 109.259 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -85.03 168.23 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.529 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -167.19 129.76 1.71 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.048 1.468 . . . . 0.0 109.34 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.507 ' CB ' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.87 130.77 35.22 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 C--N 1.345 0.386 0 O-C-N 125.044 1.465 . . . . 0.0 109.335 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -87.37 -169.9 2.81 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.97 1.041 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -122.03 143.97 49.18 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.024 1.452 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.9 p -83.5 139.55 32.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.993 1.433 . . . . 0.0 109.245 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.507 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . -172.6 113.81 0.49 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.576 ' HA ' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -73.58 138.83 20.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.065 . . . . 0.0 109.353 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.476 ' CG1' HG22 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -94.24 145.3 8.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.05 1.469 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -92.18 -48.39 6.73 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.997 1.435 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.583 ' CZ3' ' CG ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -122.63 164.61 17.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.415 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -174.36 117.06 0.21 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.986 1.429 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -146.06 138.98 25.73 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.961 1.413 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.523 ' CB ' ' CE1' ' A' ' 34' ' ' PHE . . . -107.84 33.36 4.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.076 1.485 . . . . 0.0 109.429 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -56.33 1.05 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.924 1.39 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.637 ' CD ' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.49 -60.89 3.13 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.017 1.448 . . . . 0.0 109.349 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 166.03 62.81 0.03 OUTLIER Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 33' ' ' HIS . 0.3 OUTLIER 72.15 -159.69 0.11 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.093 1.114 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.93 -177.87 24.35 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CG ' ' CZ3' ' A' ' 11' ' ' TRP . 4.5 m-85 -115.46 140.63 48.97 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.968 1.04 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.567 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.8 mt -98.48 164.39 2.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.471 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.463 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -125.88 90.35 50.55 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.039 1.462 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 141.64 27.25 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.833 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.1 p-10 -58.87 -92.64 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.025 1.453 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.4 m-20 39.24 -101.73 0.03 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.08 1.488 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -139.45 38.32 1.65 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.5 p 91.19 -159.94 0.01 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.031 1.077 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' SER . 1.1 tttt 95.46 -176.06 0.01 OUTLIER 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.0 1.438 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 1.2 p30 -160.1 156.68 27.23 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.94 1.4 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.75 152.03 36.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.002 1.439 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CZ ' ' HB1' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.13 128.01 36.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.211 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.567 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -160.64 158.8 2.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -109.3 -156.52 0.59 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.952 1.407 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 14' ' ' ALA . 1.4 p90 -117.7 23.49 11.68 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 1.6 t -98.97 -17.26 18.41 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.96 1.413 . . . . 0.0 109.282 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.32 14.46 22.3 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.97 1.419 . . . . 0.0 109.234 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pp -72.32 -179.73 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.038 1.461 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.607 HE21 ' HB ' ' A' ' 68' ' ' THR . 2.8 mp0 -129.38 81.62 2.03 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -169.5 154.21 5.52 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -126.93 91.58 3.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.472 . . . . 0.0 109.371 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.24 -104.26 0.27 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' ' 44' ' ' SER . 7.2 t80 -67.61 84.82 0.19 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.123 1.131 . . . . 0.0 109.281 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 84.53 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 27.1 m -170.12 148.7 3.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.908 1.38 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.2 mt -114.46 -162.48 0.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.003 1.439 . . . . 0.0 109.364 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.36 130.57 40.89 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.061 1.476 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 119.06 8.52 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.083 1.489 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.69 67.76 1.38 Allowed Glycine 0 C--N 1.347 1.164 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.574 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -152.1 138.23 18.28 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.071 . . . . 0.0 109.206 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 15.1 tttp -68.89 126.1 28.71 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.98 1.425 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 1.7 m -124.61 140.72 46.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.494 ' HG ' HG21 ' A' ' 68' ' ' THR . 96.8 p -85.23 67.65 10.23 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.784 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 9.5 p90 -73.6 -163.96 0.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.3 t -158.37 72.3 0.61 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.969 1.418 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.534 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -24.4 126.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.94 1.4 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -141.16 -170.6 3.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.058 1.474 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.15 140.1 18.25 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.97 1.419 . . . . 0.0 109.377 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.65 40.4 2.11 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.321 -1.511 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 43.63 44.14 5.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.947 1.028 . . . . 0.0 109.231 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 61.88 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.045 1.466 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.18 155.32 31.88 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.03 109.42 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.498 2.799 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' A' ' 31' ' ' PHE . . . -102.6 176.03 5.3 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.044 1.465 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.7 103.69 3.12 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.421 . . . . 0.0 109.203 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.84 54.23 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.784 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 79.6 m-20 61.59 113.97 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.982 1.048 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.424 ' CG1' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -125.86 7.38 4.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.997 1.436 . . . . 0.0 109.298 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.607 ' HB ' HE21 ' A' ' 38' ' ' GLN . 6.1 t -67.16 167.86 11.34 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.945 1.403 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.65 159.61 15.74 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.943 1.402 . . . . 0.0 109.367 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.959 1.412 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 160.83 26.66 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.964 1.037 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.509 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -127.13 151.06 49.15 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.969 1.418 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -92.19 154.99 18.31 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.016 1.447 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.23 128.64 1.64 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.509 HG23 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -90.09 155.81 3.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 O-C-N 124.997 1.057 . . . . 0.0 109.305 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 HD13 ' A' ' 45' ' ' LEU . 14.9 p -107.39 151.91 9.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -140.13 -14.11 1.03 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.077 1.486 . . . . 0.0 109.352 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.432 ' CD1' ' N ' ' A' ' 11' ' ' TRP . 2.1 m95 -98.54 -128.41 0.18 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.504 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER 75.98 116.35 0.06 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.867 1.354 . . . . 0.0 109.345 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.742 HD22 ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -138.25 137.09 37.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.027 1.454 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.72 8.13 34.96 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.968 1.417 . . . . 0.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.491 ' CB ' ' OD1' ' A' ' 13' ' ' ASN . 5.4 t0 -86.23 -64.8 1.09 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.047 1.467 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.742 ' N ' HD22 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -79.32 -24.18 42.98 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 125.004 1.44 . . . . 0.0 109.187 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.671 ' H ' HD22 ' A' ' 13' ' ' ASN . . . 90.84 69.74 1.2 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -175.06 163.98 3.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.013 1.067 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.5 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -154.72 170.69 33.06 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.427 ' H ' ' HB2' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -150.29 128.39 11.93 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.901 1.0 . . . . 0.0 109.288 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.55 ' CG1' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -90.59 167.24 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.028 1.455 . . . . 0.0 109.23 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.51 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.23 96.52 12.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 18.6 Cg_endo -74.9 123.97 8.33 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.542 2.828 . . . . 0.0 111.07 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -67.91 0.24 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.931 1.394 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -60.15 -32.85 71.42 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.901 1.375 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.84 73.06 1.6 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.251 -1.539 . . . . 0.0 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.21 -31.98 0.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.092 1.113 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -169.51 0.01 OUTLIER 'General case' 0 C--O 1.238 0.497 0 O-C-N 125.019 1.45 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.99 141.81 40.44 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.069 1.481 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -116.71 147.42 20.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CZ ' ' CA ' ' A' ' 63' ' ' ALA . 5.7 p90 -74.08 144.91 44.8 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.912 1.382 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -154.8 169.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.951 1.407 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.572 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -136.63 155.32 50.07 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.055 1.472 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 37' ' ' ILE . 54.4 p90 -48.96 -18.25 0.27 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.119 1.512 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' HIS . 46.9 t -88.63 41.83 1.04 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.029 1.456 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.672 ' C ' ' H ' ' A' ' 38' ' ' GLN . . . -140.82 -29.78 0.66 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.047 1.467 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.491 ' HB ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.43 15.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.672 ' H ' ' C ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -46.85 100.98 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.424 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.593 ' CG ' ' H ' ' A' ' 40' ' ' ASP . 5.1 t-20 -123.91 -168.59 1.81 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.943 1.402 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.593 ' H ' ' CG ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -43.83 -42.24 5.53 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.91 1.381 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.01 -35.23 0.02 OUTLIER Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -46.36 120.84 3.04 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.0 1.059 . . . . 0.0 109.356 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.48 141.43 46.24 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.954 1.409 . . . . 0.0 109.311 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 80.57 133.64 0.06 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.019 1.449 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -64.62 165.44 10.19 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.884 1.365 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.5 t0 -114.38 24.1 12.21 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.987 1.429 . . . . 0.0 109.213 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 14.0 pt-20 34.95 49.16 0.38 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.946 1.404 . . . . 0.0 109.388 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.68 83.95 0.05 OUTLIER Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HG3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -174.39 142.36 0.77 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.968 1.04 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.509 ' CG ' HG23 ' A' ' 8' ' ' ILE . 1.3 ttpp -78.76 132.77 37.05 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.995 1.434 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.593 ' CG1' ' HA ' ' A' ' 69' ' ' SER . 1.6 m -150.26 162.21 3.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.47 162.82 25.21 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 23' ' ' PRO . 0.8 OUTLIER -159.31 145.49 16.42 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 125.008 1.443 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.467 HG22 ' HB2' ' A' ' 66' ' ' ASN . 1.4 p -137.48 49.76 1.98 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.495 HD12 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -30.63 137.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 125.072 1.483 . . . . 0.0 109.3 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -112.36 153.37 27.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.883 1.364 . . . . 0.0 109.226 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 p -93.22 134.58 35.27 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 0.0 109.173 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.737 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . -177.23 66.17 0.09 OUTLIER Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.737 ' CB ' ' O ' ' A' ' 58' ' ' GLY . . . 114.97 -165.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.068 . . . . 0.0 109.236 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -93.6 36.75 1.07 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.949 1.405 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.36 109.59 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.484 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.06 109.61 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.464 2.776 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.584 ' CA ' ' CZ ' ' A' ' 31' ' ' PHE . . . -91.04 144.86 25.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.04 1.462 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.12 119.11 14.78 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.039 1.462 . . . . 0.0 109.365 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.88 130.98 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.467 ' HB2' HG22 ' A' ' 54' ' ' THR . 67.6 m-20 55.41 100.82 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.988 1.052 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.657 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -133.93 99.1 2.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 125.045 1.466 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.36 119.41 37.9 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.071 1.482 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.593 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 21.0 p -55.67 134.91 51.53 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.53 ' H ' HG13 ' A' ' 51' ' ' VAL . 95.8 mt . . . . . 0 C--N 1.344 0.346 0 O-C-N 125.009 1.443 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.57 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.06 40.85 3.06 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HZ1' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -127.2 161.02 29.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.048 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.58 138.64 39.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.034 1.459 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -94.16 157.98 15.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.064 1.478 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.96 -159.44 18.3 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.447 HG23 ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -148.16 138.2 16.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.993 1.055 . . . . 0.0 109.304 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.78 135.81 24.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.97 1.419 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.35 -61.06 1.42 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -125.77 156.91 38.71 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.066 1.479 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.452 ' HA ' ' CA ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.5 127.88 1.17 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.56 134.64 51.68 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.959 1.412 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.45 -13.34 16.66 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -37.48 66.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.018 1.449 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -38.5 10.83 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 100.33 50.63 1.3 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 23.0 m-85 -165.47 159.32 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.973 1.043 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -159.16 -178.89 33.58 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -133.61 125.9 29.76 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.068 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG1' HG12 ' A' ' 32' ' ' VAL . 1.2 mt -103.74 164.88 3.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.15 97.68 16.29 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.013 1.446 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.83 17.02 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.473 2.782 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -70.06 0.09 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.001 1.438 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.76 -34.23 69.34 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.008 1.442 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.24 69.08 1.85 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -32.64 0.22 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.995 1.056 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -57.84 -173.88 0.01 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.022 1.451 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.79 132.45 43.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.016 1.448 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 55' ' ' ILE . 24.5 m -118.21 156.09 20.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.995 1.434 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.06 155.26 19.19 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.966 1.416 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG12 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -140.58 162.11 23.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.018 1.449 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.453 ' HD1' ' H ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -132.07 167.32 19.93 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.028 1.455 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -98.9 41.18 1.15 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.453 ' H ' ' HD1' ' A' ' 33' ' ' HIS . 2.6 t -123.49 20.25 9.57 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.98 1.425 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -170.46 37.53 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.433 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.642 ' CG1' ' H ' ' A' ' 38' ' ' GLN . 10.0 tt -88.55 -179.14 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.642 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 2.3 mp0 -139.71 75.57 1.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.931 1.395 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.499 ' N ' HD21 ' A' ' 39' ' ' ASN . 0.2 OUTLIER -146.56 42.86 1.18 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.956 1.41 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 58.89 -92.3 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -142.26 -141.89 3.97 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.5 t80 31.16 72.74 0.06 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.082 1.107 . . . . 0.0 109.287 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -50.2 120.8 4.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.965 1.415 . . . . 0.0 109.326 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.99 133.73 1.21 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.45 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -137.39 159.02 43.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.96 160.79 14.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 11.1 pt-20 -92.26 120.91 33.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.99 1.431 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.11 41.01 9.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -106.2 148.34 28.02 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.048 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' CG ' HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -79.54 119.36 22.41 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.018 1.449 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.23 159.03 29.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.42 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -113.34 171.96 7.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.029 1.455 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' CE1' HG22 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -169.85 -161.45 0.28 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.985 1.428 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.4 t -154.24 29.58 0.45 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.038 1.461 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.508 ' CD1' HG12 ' A' ' 30' ' ' VAL . 1.1 mm 34.35 83.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.015 1.447 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.58 161.76 24.6 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.984 1.428 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -119.01 139.35 51.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.452 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.25 -38.2 0.02 OUTLIER Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.42 -77.43 0.6 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.039 1.082 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -86.61 0.4 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -131.46 -73.71 0.11 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.431 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 18.5 Cg_endo -74.95 145.79 32.06 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . . . 175.49 101.26 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' HB3' ' H ' ' A' ' 65' ' ' GLY . . . 38.33 -143.02 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.984 1.428 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 64' ' ' ALA . . . 120.43 83.49 0.77 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 56.94 64.18 1.72 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.047 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' H ' HG21 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -81.65 104.39 10.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.043 1.465 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -121.53 148.04 45.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.978 1.423 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -85.89 142.01 29.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.945 1.403 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.372 0 O-C-N 124.981 1.426 . . . . 0.0 109.314 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.241 0.631 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.14 -116.92 3.29 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.93 177.79 5.33 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.051 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.39 148.35 7.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.987 1.429 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -85.12 146.74 26.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.941 1.401 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.503 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -173.74 129.49 1.66 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.447 HG23 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -97.74 140.43 17.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.075 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' A' ' 46' ' ' ASP . 1.7 p -78.47 155.01 5.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.404 . . . . 0.0 109.225 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -110.96 -63.74 1.36 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.094 1.496 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.463 ' CD1' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.87 166.16 25.7 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.002 1.439 . . . . 0.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -158.64 156.59 30.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 0.0 109.252 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 16' ' ' LYS . 4.0 p30 -131.12 131.82 44.39 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.006 1.441 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.76 -0.08 25.7 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.939 1.399 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -55.08 5.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.078 1.486 . . . . 0.0 109.381 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' CG ' ' OD1' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -81.4 -35.07 31.19 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.935 1.397 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 18' ' ' PHE . . . 101.54 60.08 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 17' ' ' GLY . 64.6 m-85 -158.33 153.38 25.36 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.051 1.089 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.31 170.8 20.79 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 29' ' ' ASP . 10.9 t80 -143.11 114.48 7.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.981 1.047 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.582 ' CD1' HG12 ' A' ' 67' ' ' VAL . 4.7 mt -107.94 168.81 3.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.976 1.423 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.544 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -139.72 108.93 7.17 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.999 1.437 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.537 2.825 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -106.61 -53.18 2.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.078 1.486 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -104.53 -10.59 17.52 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.959 1.412 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.43 -128.87 0.03 OUTLIER Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.458 ' HB2' ' HZ1' ' A' ' 28' ' ' LYS . 23.4 p -116.76 -108.49 0.37 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.036 1.08 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HZ1' ' HB2' ' A' ' 27' ' ' SER . 0.0 OUTLIER -109.35 -178.66 3.62 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.026 1.454 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -58.4 122.88 14.37 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.92 1.387 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.58 128.94 54.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 O-C-N 125.022 1.451 . . . . 0.0 109.266 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -73.83 157.89 35.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 0.0 109.345 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.586 HG21 ' H ' ' A' ' 34' ' ' PHE . 2.0 m -119.77 160.05 20.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.77 42.88 2.12 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.043 1.464 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.603 ' C ' ' H ' ' A' ' 36' ' ' ALA . 1.7 m-30 46.18 -164.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.95 1.406 . . . . 0.0 109.264 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t 71.81 -26.59 0.18 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.964 1.415 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.603 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -138.43 52.84 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -133.34 60.84 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 125.032 1.457 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.582 ' H ' ' NE2' ' A' ' 38' ' ' GLN . 19.6 mm-40 -36.3 100.23 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.942 1.401 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -109.97 -148.28 0.43 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.022 1.451 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.55 -62.5 1.52 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.96 1.412 . . . . 0.0 109.261 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.71 -72.37 0.02 OUTLIER Glycine 0 C--N 1.344 1.002 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.43 119.93 13.7 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.977 1.046 . . . . 0.0 109.315 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -50.38 97.92 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.972 1.42 . . . . 0.0 109.197 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.32 109.01 0.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.969 1.418 . . . . 0.0 109.255 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.681 ' CD1' HE22 ' A' ' 49' ' ' GLN . 10.4 tp -143.14 -139.71 0.11 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.275 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 6.9 p-10 41.98 -155.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.981 1.425 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 70.6 25.44 4.17 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.007 1.442 . . . . 0.0 109.25 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 49' ' ' GLN . . . 94.82 93.88 1.67 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.681 HE22 ' CD1' ' A' ' 45' ' ' LEU . 20.2 mt-30 -158.85 141.82 14.54 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.043 1.084 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -89.14 117.62 28.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.027 1.454 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.74 176.0 9.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.009 1.443 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.466 ' HG ' HG21 ' A' ' 68' ' ' THR . 4.5 p -132.67 142.85 49.28 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.925 1.39 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CE2' HG22 ' A' ' 21' ' ' ILE . 6.9 p90 -153.49 -159.6 1.01 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.04 1.463 . . . . 0.0 109.181 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' A' ' 53' ' ' PHE . 2.4 t -151.61 29.27 0.61 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.981 1.426 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt 36.95 86.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 125.049 1.468 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.552 ' HB2' ' CA ' ' A' ' 65' ' ' GLY . 3.0 mt-10 -82.19 178.41 8.28 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.962 1.414 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 t -149.69 123.88 9.5 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.051 1.469 . . . . 0.0 109.298 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.96 55.36 0.01 OUTLIER Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.48 -161.45 0.59 Allowed 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.044 1.085 . . . . 0.0 109.314 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -37.34 17.05 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.039 1.462 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.26 -151.68 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.98 3.03 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.454 2.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -113.58 164.91 13.05 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 139.22 38.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.897 1.373 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.552 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -109.85 141.21 16.09 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 52.1 50.49 18.37 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.97 1.041 . . . . 0.0 109.423 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -79.66 112.65 17.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.037 1.461 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.466 HG21 ' HG ' ' A' ' 52' ' ' SER . 0.2 OUTLIER -122.43 123.1 40.54 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.896 1.372 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -58.85 146.39 37.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.031 1.457 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.346 0.423 0 O-C-N 125.014 1.446 . . . . 0.0 109.24 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.239 0.539 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.438 ' HA3' ' HZ2' ' A' ' 4' ' ' LYS . . . -68.77 -39.91 85.53 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.539 ' H ' ' HZ3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.15 160.92 19.83 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.37 152.63 41.82 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.069 1.481 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -81.31 171.64 14.56 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.912 1.383 . . . . 0.0 109.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.82 130.73 1.31 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.344 -1.503 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.556 HG23 ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -103.6 143.9 14.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.941 1.024 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.26 148.4 6.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.014 1.446 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -113.64 -38.84 4.19 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.016 1.448 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -134.21 135.52 43.04 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.041 1.463 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.67 141.76 27.18 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.077 1.486 . . . . 0.0 109.226 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.583 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -123.87 124.02 41.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 0.0 109.344 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.474 ' HB1' ' CE2' ' A' ' 12' ' ' PHE . . . -108.69 23.0 15.17 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.921 1.388 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.583 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -94.83 -45.66 7.22 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' H ' HD22 ' A' ' 13' ' ' ASN . 2.2 pttm -104.22 -34.39 8.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.063 1.477 . . . . 0.0 109.203 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 112.8 64.57 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 43.8 m-85 -167.32 154.58 8.74 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.921 1.012 . . . . 0.0 109.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.02 140.75 6.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.454 ' CE2' ' CE1' ' A' ' 31' ' ' PHE . 1.3 m-85 -89.45 121.19 31.45 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.904 1.003 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.423 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.3 mt -110.25 161.86 8.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -134.78 108.02 10.76 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 18.1 Cg_endo -74.96 141.08 26.32 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.503 2.802 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.494 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -51.8 -91.52 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.899 1.374 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.494 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 33.4 t70 -57.98 -12.3 3.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' O ' ' HG2' ' A' ' 23' ' ' PRO . . . -89.73 84.9 1.38 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -52.28 144.27 13.12 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.075 1.103 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER 92.74 -169.82 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' LYS . 5.2 p-10 -132.84 114.15 13.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.67 140.66 15.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.97 155.34 38.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.097 1.498 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.423 ' CG1' HG13 ' A' ' 21' ' ' ILE . 1.2 m -150.07 175.09 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.08 1.488 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -144.58 155.22 43.54 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.979 1.424 . . . . 0.0 109.226 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' C ' ' H ' ' A' ' 36' ' ' ALA . 5.7 p90 -63.36 -156.44 0.01 OUTLIER 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.073 1.483 . . . . 0.0 109.402 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 73.61 -48.46 0.67 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.092 1.495 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -75.21 4.52 6.84 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.92 1.387 . . . . 0.0 109.29 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.709 ' CD1' ' H ' ' A' ' 43' ' ' LYS . 1.1 pt -72.28 60.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.19 95.39 0.41 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.052 1.47 . . . . 0.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.43 ' HB3' ' CE ' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 175.73 121.7 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 0.0 109.281 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t0 58.3 -91.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.933 1.396 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 171.73 153.76 9.38 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 t80 31.18 50.04 0.11 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.94 1.023 . . . . 0.0 109.379 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.709 ' H ' ' CD1' ' A' ' 37' ' ' ILE . 26.9 ttpp -64.45 136.65 57.29 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.424 . . . . 0.0 109.219 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -101.94 129.96 48.33 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.915 1.384 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 5.0 mt -86.77 153.88 21.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.965 1.416 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -137.86 159.01 43.15 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.004 1.44 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -76.68 100.37 5.37 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.008 1.442 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.42 54.22 0.45 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.409 HE21 ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -122.06 143.59 49.42 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.043 1.084 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -101.22 103.18 14.2 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.916 1.385 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -113.29 -169.53 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.985 1.428 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.66 158.7 44.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.52 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -162.85 -157.8 0.46 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.989 1.431 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.619 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.3 t -121.44 29.65 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.985 1.428 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.619 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.8 mt 13.06 86.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.916 1.385 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 55' ' ' ILE . 1.9 mt-10 -177.34 133.96 0.18 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.881 1.363 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.633 ' HG ' ' H ' ' A' ' 61' ' ' GLY . 2.1 p -97.13 29.99 2.93 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.462 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.28 -49.48 2.15 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 176.75 -39.2 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.045 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.96 -44.42 7.19 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.041 1.463 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.633 ' H ' ' HG ' ' A' ' 57' ' ' SER . . . -179.46 -164.58 32.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 156.09 42.79 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.54 2.827 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.03 -159.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.414 ' HB1' ' CB ' ' A' ' 32' ' ' VAL . . . -74.52 -146.07 0.02 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.964 1.415 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.41 ' H ' ' HB3' ' A' ' 64' ' ' ALA . . . 133.44 98.07 0.64 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 60.13 62.36 1.64 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.95 1.029 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.65 101.01 5.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.049 1.468 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.99 139.43 50.69 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.952 1.408 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -45.3 160.93 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.033 1.458 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.411 0 O-C-N 125.028 1.455 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.57 -49.19 0.59 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.55 160.85 13.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.027 1.075 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.518 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -120.47 140.04 51.99 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.437 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -71.88 167.29 20.34 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.941 1.4 . . . . 0.0 109.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.466 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.89 104.98 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.524 HG23 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -88.41 142.07 13.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.083 1.108 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 1.2 p -89.3 125.94 42.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.4 mttm -100.15 -41.59 7.06 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.08 1.487 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.445 ' CE3' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -131.57 159.37 38.41 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.43 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -173.71 119.71 0.29 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.862 1.351 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.652 HD22 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -90.76 125.73 35.79 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.902 1.376 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.498 ' HB1' ' CE1' ' A' ' 12' ' ' PHE . . . -105.3 28.46 7.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.011 1.444 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.99 -47.61 4.51 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.652 ' H ' HD22 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -98.72 -24.09 15.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.076 1.485 . . . . 0.0 109.365 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 103.17 43.9 1.82 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -118.3 160.09 22.24 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.064 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.423 ' HA3' ' CG2' ' A' ' 32' ' ' VAL . . . -145.48 141.4 9.78 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -117.56 109.61 16.91 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.9 1.0 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.494 ' CD1' HG12 ' A' ' 32' ' ' VAL . 4.1 mt -102.66 150.33 6.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.06 1.475 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -114.66 140.7 25.66 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.916 1.385 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.45 ' C ' ' H ' ' A' ' 25' ' ' ASP . 18.1 Cg_endo -75.08 -165.07 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.528 2.819 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.708 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -67.24 0.51 2.73 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.06 1.475 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.708 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 31.3 t70 120.52 0.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.406 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -49.04 -17.14 0.84 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.8 t 98.77 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.977 1.045 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -48.93 151.97 1.14 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.39 115.99 21.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.425 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.482 ' HB ' ' H ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -101.95 132.73 47.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.513 ' CZ ' ' CB ' ' A' ' 63' ' ' ALA . 3.1 p90 -90.19 163.5 14.78 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.959 1.412 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.494 HG12 ' CD1' ' A' ' 21' ' ' ILE . 6.1 m -148.79 161.14 5.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.031 1.457 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -134.91 144.99 47.8 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 0.0 109.266 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.486 ' C ' ' H ' ' A' ' 36' ' ' ALA . 3.6 m-85 -42.95 -29.03 0.3 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.872 1.357 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -72.34 44.82 0.12 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.096 1.498 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' O ' ' CG2' ' A' ' 67' ' ' VAL . . . 174.45 74.48 0.0 OUTLIER 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.016 1.447 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.99 45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.991 1.432 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.493 ' HG2' ' HA ' ' A' ' 68' ' ' THR . 20.0 mm-40 37.73 37.25 0.11 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.964 1.415 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER 46.46 -163.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.432 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 2.6 t0 157.6 -47.55 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.971 1.419 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.24 -59.65 0.52 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -96.57 104.93 16.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.066 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -67.37 100.78 0.86 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.98 1.425 . . . . 0.0 109.323 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.48 136.68 7.52 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.468 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.25 165.18 29.12 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.922 1.389 . . . . 0.0 109.341 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.45 150.37 34.87 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -79.44 73.56 6.08 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.938 1.399 . . . . 0.0 109.234 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 152.32 63.79 0.01 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -133.82 152.6 51.92 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.888 0.993 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -95.96 124.18 39.87 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.951 1.407 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 52' ' ' SER . 1.7 m -129.08 162.71 35.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.25 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 51' ' ' VAL . 1.2 t -116.98 126.33 52.75 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.027 1.455 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 5' ' ' MET . 2.8 p90 -116.33 -175.73 2.81 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.063 1.477 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.446 ' HA ' ' CE ' ' A' ' 5' ' ' MET . 2.6 t -135.31 29.5 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.908 1.38 . . . . 0.0 109.248 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mt 40.07 86.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.032 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 1.5 mt-10 -102.38 166.22 10.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.077 1.486 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -104.71 139.28 39.76 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 124.933 1.396 . . . . 0.0 109.364 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.25 -110.21 2.06 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.25 -70.11 0.64 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.987 1.051 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -43.87 -42.26 5.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.985 1.428 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.54 -93.81 0.1 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 171.51 18.18 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.408 2.738 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.513 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . . . 175.93 86.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.201 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.482 ' H ' ' HB ' ' A' ' 30' ' ' VAL . . . -50.1 131.51 23.33 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -112.38 153.15 17.59 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 48.79 63.2 2.21 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.015 1.067 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.528 ' O ' HG21 ' A' ' 67' ' ' VAL . 30.9 m -86.75 103.63 13.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.019 1.449 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.493 ' HA ' ' HG2' ' A' ' 38' ' ' GLN . 0.1 OUTLIER -91.94 125.78 36.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 p -86.32 126.53 34.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.411 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.406 0 O-C-N 125.008 1.443 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.57 0 CA-C-O 118.483 -0.77 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.32 -53.62 0.27 Allowed Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.445 ' HZ1' ' HB3' ' A' ' 4' ' ' LYS . 3.2 mtpm? -99.93 158.62 15.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.087 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 3.8 ptp -156.92 164.69 37.77 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.061 1.476 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.417 HG23 ' CD1' ' A' ' 70' ' ' LEU . 31.6 p -78.29 172.66 13.26 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . 162.26 127.93 0.91 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.482 HD12 ' HZ3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -83.46 141.28 15.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.029 1.076 . . . . 0.0 109.347 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.506 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 2.6 p -98.9 135.45 33.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.441 . . . . 0.0 109.217 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' CE ' ' HA2' ' A' ' 48' ' ' GLY . 9.7 mttt -151.17 13.6 0.68 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.527 ' HB2' ' CB ' ' A' ' 20' ' ' PHE . 1.2 m-90 -143.18 29.14 1.48 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.506 ' HB3' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER -83.18 117.59 23.02 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.063 1.477 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -126.49 89.05 2.94 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.026 1.454 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.96 20.3 0.37 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.879 1.362 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -105.97 -65.11 1.09 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.107 1.504 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.569 ' CD ' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.02 -42.12 98.83 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.467 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 121.34 52.7 0.23 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 16.5 m-85 -170.76 168.55 7.3 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.12 1.129 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 12' ' ' PHE . . . -170.36 110.18 0.36 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -91.34 152.4 20.46 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.019 1.07 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.53 HD12 ' CG1' ' A' ' 67' ' ' VAL . 34.1 mt -132.67 161.63 41.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.834 1.334 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.434 ' OG1' ' CH2' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -115.45 117.79 40.24 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.979 1.424 . . . . 0.0 109.258 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 -159.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.432 2.754 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -133.27 -5.22 3.01 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -44.4 -84.22 0.01 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.033 1.458 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.45 53.96 0.41 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 76.37 127.06 0.04 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.065 1.097 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HZ1' ' HG3' ' A' ' 28' ' ' LYS . 1.8 mtmm 169.97 -172.03 0.03 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.006 1.441 . . . . 0.0 109.358 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' OD2' ' CE1' ' A' ' 20' ' ' PHE . 6.6 p-10 -153.66 113.6 3.89 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.67 128.85 44.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -78.72 145.65 34.36 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.009 1.443 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG1' ' C ' ' A' ' 31' ' ' PHE . 1.7 m -152.56 162.88 2.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.098 1.499 . . . . 0.0 109.216 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -116.31 138.14 51.57 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.068 1.48 . . . . 0.0 109.268 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' ALA . 6.5 p90 -61.87 -160.94 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.929 1.393 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 17.46 0.33 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' PHE . . . -127.23 10.9 6.9 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.468 . . . . 0.0 109.211 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 9.8 tt -77.92 179.86 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.642 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 20.9 mm-40 -91.95 32.21 1.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.007 1.442 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.91 171.61 0.07 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.96 1.413 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.9 t0 179.73 37.41 0.0 OUTLIER 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.984 1.428 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.59 -51.62 1.86 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -124.83 119.15 28.03 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.113 1.125 . . . . 0.0 109.285 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 94.4 0.02 OUTLIER 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.937 1.398 . . . . 0.0 109.247 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -166.54 160.94 15.72 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.937 1.398 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.644 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 2.7 tp -138.7 162.94 33.42 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.036 1.46 . . . . 0.0 109.366 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.0 103.86 13.39 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.943 1.402 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.97 103.53 0.07 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.074 1.484 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.497 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 115.95 51.01 0.42 Allowed Glycine 0 C--N 1.344 1.0 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.536 ' NE2' ' CG1' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -137.19 154.02 50.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.924 1.014 . . . . 0.0 109.243 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.91 126.8 33.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.951 1.407 . . . . 0.0 109.374 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.536 ' CG1' ' NE2' ' A' ' 49' ' ' GLN . 27.2 m -136.1 -162.42 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.15 -176.05 4.66 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.939 1.399 . . . . 0.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.503 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 47.8 p90 -170.29 163.92 8.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.59 HG21 ' HB3' ' A' ' 64' ' ' ALA . 2.7 t -113.94 60.02 0.67 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.087 1.492 . . . . 0.0 109.21 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER -27.84 132.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.014 1.446 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.07 119.89 28.78 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -94.67 127.83 40.92 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.036 1.46 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.05 -32.42 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.0 -152.41 0.51 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.035 1.079 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' HZ3' ' HB3' ' A' ' 60' ' ' LYS . 3.2 ttpp -112.63 82.89 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 154.65 131.8 1.54 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 117.18 4.79 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.447 2.765 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.46 154.92 12.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.057 1.473 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.59 ' HB3' HG21 ' A' ' 54' ' ' THR . . . -174.79 -156.5 0.06 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.967 1.417 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.459 ' H ' HG21 ' A' ' 54' ' ' THR . . . -128.05 -142.64 5.5 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.553 ' HB2' HG23 ' A' ' 54' ' ' THR . 10.0 m120 56.87 55.76 5.94 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.065 . . . . 0.0 109.399 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.53 ' CG1' HD12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -91.69 99.46 9.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.921 1.388 . . . . 0.0 109.293 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 38' ' ' GLN . 4.1 t -119.34 151.3 38.7 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.934 1.396 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.3 p -86.82 130.99 34.24 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.043 1.464 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' CD1' HG23 ' A' ' 6' ' ' THR . 17.2 mt . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.98 1.425 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.241 0.626 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.77 140.39 15.57 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -108.93 -155.68 0.56 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.953 1.031 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.476 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -88.36 150.93 22.93 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.431 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -77.75 168.99 19.06 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.122 1.514 . . . . 0.0 109.314 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 132.84 1.41 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.47 ' CG2' ' HZ3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -98.66 143.83 12.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.065 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.429 ' HB ' ' CD1' ' A' ' 21' ' ' ILE . 2.4 p -83.73 142.06 13.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -34.49 6.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.025 1.453 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -139.9 133.87 30.82 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 125.046 1.466 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -138.0 118.91 14.24 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 0.0 109.254 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.57 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 12.2 m120 -138.1 57.06 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.99 1.431 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 34' ' ' PHE . . . -73.22 68.53 1.02 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.915 1.384 . . . . 0.0 109.339 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -168.67 -29.85 0.02 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.056 1.473 . . . . 0.0 109.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -100.77 -60.25 1.56 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.037 1.461 . . . . 0.0 109.263 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' H ' ' HG3' ' A' ' 16' ' ' LYS . . . -151.07 30.03 0.99 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CG ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER 83.23 -163.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.928 1.017 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.39 177.58 19.72 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -132.35 135.97 46.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.058 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 3.2 mt -108.74 158.99 8.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.08 110.22 34.83 Favored Pre-proline 0 C--O 1.241 0.628 0 O-C-N 124.992 1.433 . . . . 0.0 109.211 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 18.1 Cg_endo -75.08 168.26 25.17 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.481 2.787 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -114.53 -45.94 2.99 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.438 . . . . 0.0 109.194 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -96.24 -18.76 19.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 -86.94 0.08 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.05 1.088 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 8.2 mttp -104.38 -172.62 2.14 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.947 1.405 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -90.56 145.02 25.21 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.541 ' CG1' HG21 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -117.64 163.58 14.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 125.004 1.44 . . . . 0.0 109.316 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.509 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 3.2 p90 -90.1 152.0 21.34 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.037 1.461 . . . . 0.0 109.355 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -158.29 153.83 5.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.224 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 5.4 p80 -111.39 177.97 4.49 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' C ' ' H ' ' A' ' 36' ' ' ALA . 2.7 p90 -69.29 -22.33 63.81 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.997 1.435 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.511 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -77.71 39.06 0.27 Allowed 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.934 1.396 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -169.81 66.93 0.05 Allowed 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.064 1.478 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.548 ' HA ' HG13 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -143.64 60.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.962 1.413 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.853 ' H ' ' NE2' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -41.55 99.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.011 1.444 . . . . 0.0 109.374 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 37' ' ' ILE . 42.7 p-10 -165.54 -144.0 0.07 Allowed 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.05 1.469 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-20 -35.17 -79.17 0.01 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.024 1.452 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.78 -38.17 0.24 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.503 ' O ' ' C ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -79.31 48.7 0.91 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.008 1.064 . . . . 0.0 109.266 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.537 ' HA ' ' CG2' ' A' ' 37' ' ' ILE . 0.0 OUTLIER 27.25 -136.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.071 1.482 . . . . 0.0 109.323 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.414 ' H ' ' HB2' ' A' ' 43' ' ' LYS . 0.6 OUTLIER 67.99 116.07 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD2' HG13 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -102.69 -157.32 0.6 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.082 1.489 . . . . 0.0 109.298 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -150.89 165.39 33.79 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.034 1.459 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -91.87 100.36 13.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.867 1.354 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.23 80.07 1.5 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' NE2' ' CB ' ' A' ' 69' ' ' SER . 47.4 tt0 -151.69 129.31 11.5 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.044 1.085 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HZ3' ' CG2' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -72.06 133.75 45.43 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.072 1.483 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.6 171.93 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.19 126.62 46.44 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.567 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -144.78 -170.44 3.4 Favored 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.015 1.447 . . . . 0.0 109.326 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.444 ' O ' HG21 ' A' ' 54' ' ' THR . 1.4 t -122.22 95.31 4.6 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.951 1.407 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.545 HG13 ' CE2' ' A' ' 53' ' ' PHE . 3.5 mp -70.95 67.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.058 1.474 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -179.73 127.45 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.0 t 66.67 140.11 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 0.0 109.342 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.537 ' HA3' ' CB ' ' A' ' 63' ' ' ALA . . . 175.88 -40.08 0.11 Allowed Glycine 0 C--N 1.346 1.134 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.77 -78.06 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.047 1.086 . . . . 0.0 109.379 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -83.57 -63.2 1.4 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.085 1.491 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.436 ' H ' ' HG2' ' A' ' 60' ' ' LYS . . . -145.83 -96.26 0.19 Allowed Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.47 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.8 Cg_endo -74.93 135.95 19.9 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.532 2.821 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.537 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . . . -158.88 159.47 35.04 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . . . -107.64 84.15 1.91 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.063 1.477 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -103.56 166.66 16.06 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' HB2' HG23 ' A' ' 54' ' ' THR . 1.7 t-20 61.87 39.98 13.12 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.953 1.031 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.567 ' CG2' ' HB3' ' A' ' 53' ' ' PHE . 1.1 t -69.32 157.86 6.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 0.0 109.356 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.93 124.61 0.78 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.444 . . . . 0.0 109.374 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.426 ' CB ' ' NE2' ' A' ' 49' ' ' GLN . 56.3 p -66.93 132.44 47.97 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.042 1.464 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.346 0.432 0 O-C-N 124.924 1.39 . . . . 0.0 109.279 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.03 155.09 9.24 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.71 160.47 14.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.033 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.505 ' HG3' ' CD2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -138.75 155.4 48.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.45 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -89.74 166.73 13.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.977 1.423 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.31 135.52 1.83 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.76 164.72 2.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.063 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.528 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -104.23 129.03 57.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.035 1.459 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -102.9 -38.7 7.27 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -126.49 135.86 51.88 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.441 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.521 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -153.43 151.3 29.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.086 1.491 . . . . 0.0 109.221 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.565 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -160.44 87.53 0.77 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.071 1.482 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.1 59.56 1.39 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.887 1.367 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -167.88 -36.39 0.02 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.944 1.402 . . . . 0.0 109.234 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.565 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -93.05 -49.87 5.8 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.884 1.365 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.06 -90.92 0.08 OUTLIER Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -146.26 -172.07 3.86 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.071 . . . . 0.0 109.224 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.508 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -122.11 162.97 15.68 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -124.27 111.29 15.66 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 124.99 1.053 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -84.47 165.17 2.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.906 1.379 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.485 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.61 137.49 23.97 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 125.006 1.441 . . . . 0.0 109.269 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.548 ' CG ' ' H ' ' A' ' 28' ' ' LYS . 18.6 Cg_endo -75.02 -159.89 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.504 2.803 . . . . 0.0 111.013 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.709 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 1.9 p-10 -43.71 -27.57 0.33 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.709 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 27.6 t70 120.28 0.12 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 0.0 109.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.89 46.92 1.04 Allowed Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.63 -81.03 0.21 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.971 1.042 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.548 ' H ' ' CG ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER 169.91 139.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.982 1.426 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.76 135.11 49.35 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.966 1.416 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.96 128.11 60.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.052 1.47 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -88.29 144.28 26.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.982 1.426 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 64' ' ' ALA . 1.1 p -160.17 151.15 5.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.112 1.507 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.648 ' CE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.7 OUTLIER -79.6 111.1 15.55 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.648 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 9.8 m-85 73.69 -24.24 0.21 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.58 ' H ' ' C ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER 85.7 30.65 0.04 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.976 1.422 . . . . 0.0 109.276 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.595 ' HB2' ' H ' ' A' ' 67' ' ' VAL . . . 37.14 54.69 1.27 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.945 1.403 . . . . 0.0 109.35 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.434 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 0.5 OUTLIER -72.09 61.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.871 1.357 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.544 ' H ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -42.79 96.27 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 O-C-N 124.967 1.417 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.41 ' CB ' ' HB2' ' A' ' 43' ' ' LYS . 2.3 t-20 -166.11 -173.44 2.6 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.926 1.391 . . . . 0.0 109.23 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -105.15 0.0 OUTLIER 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.018 1.449 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -68.64 72.46 0.36 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.532 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.9 p90 31.31 47.94 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.049 . . . . 0.0 109.349 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER 23.99 -136.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 0.0 109.247 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.17 164.36 7.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.997 1.436 . . . . 0.0 109.406 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD13 ' CD1' ' A' ' 12' ' ' PHE . 85.6 mt -135.04 142.74 46.43 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.883 1.364 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 p30 -116.71 27.81 8.94 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.95 1.406 . . . . 0.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 42.52 53.4 4.68 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.58 70.53 0.01 OUTLIER Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.646 HE21 ' CG1' ' A' ' 51' ' ' VAL . 12.9 pt20 -150.32 143.92 25.2 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.068 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 2.4 tttp -78.72 133.34 37.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.448 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.646 ' CG1' HE21 ' A' ' 49' ' ' GLN . 1.7 m -151.12 -175.44 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.01 1.443 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.554 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -130.89 173.69 10.72 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.024 1.452 . . . . 0.0 109.258 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' CD2' ' HG3' ' A' ' 5' ' ' MET . 0.1 OUTLIER -152.66 175.48 12.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.996 1.435 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.545 HG23 ' CB ' ' A' ' 66' ' ' ASN . 2.8 t -121.64 29.34 7.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.98 1.425 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt 60.83 160.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.034 1.458 . . . . 0.0 109.237 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -179.17 171.75 1.3 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.881 1.363 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.473 ' HA ' ' H ' ' A' ' 63' ' ' ALA . 1.3 t -152.34 133.4 14.24 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.916 1.385 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.1 -112.58 3.45 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.82 -75.18 0.58 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.994 1.056 . . . . 0.0 109.294 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -98.51 76.04 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.06 1.475 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.66 153.84 9.19 Favored Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 132.27 15.35 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.578 2.852 . . . . 0.0 111.011 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.473 ' H ' ' HA ' ' A' ' 57' ' ' SER . . . -95.26 169.36 10.14 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.474 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . . . -109.97 172.73 6.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.467 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -165.81 153.07 22.8 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.545 ' CB ' HG23 ' A' ' 54' ' ' THR . 1.8 t-20 44.0 53.35 6.42 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.913 1.008 . . . . 0.0 109.24 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.595 ' H ' ' HB2' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -86.17 100.03 8.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.946 1.404 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.25 122.75 32.14 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.958 1.411 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.421 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 96.9 p -74.39 136.88 42.43 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.079 1.487 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.345 0.402 0 O-C-N 125.012 1.445 . . . . 0.0 109.327 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.6 -69.81 0.47 Allowed Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.402 ' HZ1' ' HB2' ' A' ' 4' ' ' LYS . 8.9 mtmm -108.56 160.09 16.19 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.081 1.106 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.25 170.59 17.56 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.953 1.408 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -63.21 160.45 15.57 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.029 1.455 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 170.33 106.56 0.19 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.549 HG23 ' CD ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -80.76 132.86 30.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.033 1.078 . . . . 0.0 109.335 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.503 ' CG1' ' HA ' ' A' ' 46' ' ' ASP . 2.8 p -75.58 127.91 37.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 O-C-N 124.94 1.4 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 7.8 mttt -75.53 -84.76 0.05 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.915 1.384 . . . . 0.0 109.251 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' C ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -140.89 162.16 36.1 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.992 1.432 . . . . 0.0 109.314 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.579 ' HB3' ' CB ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -134.82 157.45 46.74 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.06 1.475 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.684 HD22 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -158.85 143.11 15.57 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -114.93 46.44 1.42 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.054 1.471 . . . . 0.0 109.22 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HB3' HD22 ' A' ' 13' ' ' ASN . 1.8 t70 -154.78 -64.8 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.256 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.684 ' H ' HD22 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -50.31 -49.89 52.29 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.053 1.471 . . . . 0.0 109.327 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.495 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 148.89 44.23 0.03 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.664 ' CD1' ' CD2' ' A' ' 33' ' ' HIS . 0.6 OUTLIER 83.88 -164.05 0.01 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.013 1.066 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.96 -159.39 8.92 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -137.6 160.5 39.01 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.027 1.075 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG2' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -113.49 169.35 5.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 125.007 1.442 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.554 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.92 113.45 7.67 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 125.046 1.466 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.77 6.83 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.583 2.855 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -36.89 0.23 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 125.029 1.455 . . . . 0.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.662 ' C ' ' H ' ' A' ' 27' ' ' SER . 43.8 t0 179.24 -111.98 0.0 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.006 1.441 . . . . 0.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.6 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . 66.19 -36.79 0.15 Allowed Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.662 ' H ' ' C ' ' A' ' 25' ' ' ASP . 4.9 t 100.31 155.76 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.902 1.001 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mttm 80.14 -169.64 0.04 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -152.62 139.34 18.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.98 121.97 44.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.04 1.462 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.16 155.04 0.05 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 0.0 109.267 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG12 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -156.42 149.84 10.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.969 1.418 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 18' ' ' PHE . 38.2 t-80 -151.51 158.27 43.38 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.046 1.466 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 33' ' ' HIS . 6.5 p90 -61.75 174.69 0.76 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.112 1.508 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.2 t 95.0 -38.49 0.01 OUTLIER 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.935 1.397 . . . . 0.0 109.215 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.25 14.17 30.83 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.011 1.445 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.1 pt -92.96 60.23 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.996 1.435 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' H ' ' NE2' ' A' ' 38' ' ' GLN . 3.3 mp0 -41.44 95.78 0.01 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.903 1.377 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.6 t-20 -153.76 44.94 0.6 Allowed 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.936 1.398 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.1 t70 60.12 -95.26 0.05 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.914 1.384 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.549 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -128.17 -91.31 0.7 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.1 t80 31.26 52.1 0.16 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.07 . . . . 0.0 109.265 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 139.56 1.46 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.999 1.437 . . . . 0.0 109.317 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 79.46 118.04 0.06 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.91 1.381 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.518 HD11 ' H ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -140.49 -170.25 2.96 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.094 1.496 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.647 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 2.1 t0 84.23 157.07 0.1 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.075 1.484 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.7 tt0 138.11 5.65 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.07 49.29 0.42 Allowed Glycine 0 C--N 1.346 1.103 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -106.46 161.29 14.73 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.038 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.549 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -108.03 108.34 19.4 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.981 1.425 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG21 ' N ' ' A' ' 52' ' ' SER . 1.8 m -126.36 -167.63 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.896 1.372 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.471 ' N ' HG21 ' A' ' 51' ' ' VAL . 3.1 m -124.26 178.16 5.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.963 1.414 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 3.8 p90 -166.49 -177.86 4.19 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.939 1.399 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.6 85.26 2.03 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.486 HG13 ' CE1' ' A' ' 53' ' ' PHE . 23.1 mt -38.62 107.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.918 1.386 . . . . 0.0 109.241 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.88 -170.49 2.19 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -133.84 126.42 30.47 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.855 1.347 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.93 -89.35 1.91 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.249 -1.541 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.95 -77.99 0.59 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.078 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.86 76.66 1.74 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.052 1.47 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.07 159.96 8.46 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 162.46 36.73 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.466 2.777 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.18 148.78 27.3 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.998 1.436 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.96 117.13 34.39 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.007 1.442 . . . . 0.0 109.256 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -112.02 169.95 13.37 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 43.31 58.19 3.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.978 1.046 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.02 99.8 7.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.96 1.413 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.1 136.86 46.23 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.985 1.428 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.421 ' HA ' HG13 ' A' ' 51' ' ' VAL . 2.4 p -44.6 161.31 0.03 OUTLIER 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.915 1.385 . . . . 0.0 109.223 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.382 0 O-C-N 125.09 1.494 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 m . . . . . 0 C--O 1.24 0.577 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.63 -39.71 0.78 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.67 155.6 22.18 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.034 1.079 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.524 ' HG3' ' CD1' ' A' ' 53' ' ' PHE . 2.9 ptp -140.44 147.95 40.45 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.041 1.463 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.3 p -59.83 144.28 48.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.941 1.401 . . . . 0.0 109.212 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 122.51 0.88 Allowed Glycine 0 C--N 1.347 1.15 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.499 HG12 ' CG2' ' A' ' 22' ' ' THR . 0.3 OUTLIER -99.06 135.13 35.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.931 1.018 . . . . 0.0 109.373 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.502 HG11 ' H ' ' A' ' 48' ' ' GLY . 7.8 p -74.72 128.8 36.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.965 1.416 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.533 ' CE ' ' HE1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -88.19 -79.31 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.533 ' HE1' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -136.36 170.54 15.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 29.2 p90 -176.66 114.71 0.11 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.937 1.398 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.488 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 5.2 m-80 -81.8 118.08 22.6 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.977 1.423 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.48 26.07 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -106.54 -45.8 4.16 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.098 1.498 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' CB ' ' HZ3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -84.5 -37.02 21.82 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.461 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 106.89 69.0 0.69 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 92.7 m-85 -161.1 149.44 15.94 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.041 1.083 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.59 155.3 22.99 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -142.94 123.53 14.06 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.055 1.091 . . . . 0.0 109.354 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.65 145.92 23.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.047 1.467 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.499 ' CG2' HG12 ' A' ' 8' ' ' ILE . 11.1 t -113.13 142.69 27.8 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.993 1.433 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.41 ' HG2' ' H ' ' A' ' 27' ' ' SER . 18.5 Cg_endo -74.97 -160.28 0.1 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.94 -37.38 1.72 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.965 1.415 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -97.3 -29.31 13.62 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.026 1.454 . . . . 0.0 109.333 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.59 -115.67 0.07 OUTLIER Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.41 ' H ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER 175.65 -70.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.989 1.052 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 162.36 0.54 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.066 1.479 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.61 137.64 41.39 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 125.044 1.465 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 m -90.71 154.56 3.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.907 1.38 . . . . 0.0 109.253 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.503 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 18.7 p90 -89.21 140.83 29.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -160.56 166.63 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.914 1.384 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.643 ' CE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -111.78 82.08 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.455 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.643 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 2.3 m-85 77.78 -25.84 0.19 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.016 1.448 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.701 ' HG ' ' CG1' ' A' ' 67' ' ' VAL . 22.7 t 76.22 19.5 1.75 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.3 56.53 7.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.502 HG21 ' O ' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -52.67 -179.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.034 1.459 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -117.27 61.43 0.74 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -128.56 160.1 33.45 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.1 -45.38 2.56 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -138.66 0.15 Allowed Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.16 120.42 7.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.071 . . . . 0.0 109.305 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -141.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.969 1.418 . . . . 0.0 109.381 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.54 164.65 0.09 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.057 1.473 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -105.27 -139.88 0.37 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.005 1.44 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.44 23.72 7.46 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 1.4 tt0 37.37 84.21 0.02 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.068 1.48 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.502 ' H ' HG11 ' A' ' 9' ' ' VAL . . . 99.13 90.12 2.0 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 25.6 tt0 -160.67 146.03 14.58 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.985 1.05 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -89.35 124.98 34.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.995 1.434 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.468 HG22 ' HB ' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -150.23 173.51 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 125.049 1.468 . . . . 0.0 109.359 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.95 106.7 18.99 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.0 1.438 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.524 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 0.5 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.563 HG22 ' HB2' ' A' ' 66' ' ' ASN . 1.6 p -129.41 100.59 5.62 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.009 1.443 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.521 HG13 ' CE2' ' A' ' 53' ' ' PHE . 8.9 mt -42.44 157.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.914 1.384 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -132.33 127.98 36.71 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.051 1.469 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -122.0 113.94 20.27 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.897 1.373 . . . . 0.0 109.354 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.66 -41.85 0.33 Allowed Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.19 -74.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.063 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -40.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.963 1.414 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.61 -169.98 12.59 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.48 2.787 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' HB1' ' CE1' ' A' ' 31' ' ' PHE . . . -139.92 178.16 7.45 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.949 1.405 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.47 ' H ' ' HB ' ' A' ' 32' ' ' VAL . . . -96.39 -153.05 0.4 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.995 1.434 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 66' ' ' ASN . . . 149.33 133.72 2.24 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.563 ' HB2' HG22 ' A' ' 54' ' ' THR . 71.8 m-20 56.54 109.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.081 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.701 ' CG1' ' HG ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -139.42 122.23 17.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 124.985 1.428 . . . . 0.0 109.219 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -118.33 119.44 34.65 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.995 1.435 . . . . 0.0 109.256 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.401 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 10.6 p -47.51 134.7 11.85 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.967 1.417 . . . . 0.0 109.218 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.985 1.428 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.239 0.506 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.13 -114.12 0.05 OUTLIER Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -164.68 1.11 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.004 1.061 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.4 ptp -165.37 157.25 14.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.41 . . . . 0.0 109.338 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -90.4 149.74 22.14 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.061 1.475 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -158.76 -155.02 7.43 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.489 HG23 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -149.37 140.72 17.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.986 1.05 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.31 136.3 27.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.047 1.467 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.19 -63.73 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.032 1.457 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.78 162.15 25.75 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.977 1.423 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -168.52 146.4 4.08 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.019 1.449 . . . . 0.0 109.347 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.5 ' CG ' ' CD ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -123.61 146.99 47.76 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.028 1.455 . . . . 0.0 109.342 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 34' ' ' PHE . . . -105.82 -53.38 2.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.448 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -63.65 -6.02 4.83 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.076 1.485 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' CD ' ' CG ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -130.79 -19.59 2.94 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.918 1.386 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 13' ' ' ASN . . . 54.33 73.68 0.39 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -130.68 31.04 4.59 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.049 . . . . 0.0 109.391 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.481 ' HA2' ' HB2' ' A' ' 12' ' ' PHE . . . -37.69 101.55 0.01 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.62 109.83 22.52 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.067 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.494 HG22 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -100.95 176.18 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.025 1.453 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.482 ' H ' HG23 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -142.65 105.29 5.39 Favored Pre-proline 0 C--O 1.241 0.626 0 O-C-N 124.953 1.408 . . . . 0.0 109.237 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.31 0.23 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.501 2.801 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -136.59 -1.03 2.32 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 125.033 1.458 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.67 -44.62 9.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.35 44.14 0.05 OUTLIER Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.36 126.05 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.023 1.072 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 172.48 -172.78 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.13 1.519 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.54 124.79 5.69 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.427 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 3.0 m -101.76 111.64 32.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.95 1.406 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -90.41 124.65 35.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.042 1.463 . . . . 0.0 109.22 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 35' ' ' SER . 1.2 p -160.5 156.38 3.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.02 1.45 . . . . 0.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -64.97 83.92 0.04 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.998 1.437 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 12' ' ' PHE . 18.1 m-30 49.89 28.86 3.02 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.086 1.491 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.542 ' CB ' HG21 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 37.84 33.01 0.04 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.024 1.452 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.26 64.6 1.17 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.051 1.469 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.54 HG21 ' O ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -47.22 178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 0.0 109.248 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 67' ' ' VAL . 21.5 mm-40 -105.25 32.02 4.51 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.892 1.37 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.476 HD21 ' C ' ' A' ' 42' ' ' TYR . 13.0 p-10 -82.13 -176.55 6.22 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -154.46 32.45 0.42 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.093 1.496 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.39 -34.7 0.28 Allowed Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.602 ' C ' ' H ' ' A' ' 44' ' ' SER . 5.3 m-85 -101.21 88.0 3.38 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.99 1.053 . . . . 0.0 109.303 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.666 ' H ' ' CE ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.95 17.72 0.07 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.04 1.462 . . . . 0.0 109.35 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.602 ' H ' ' C ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -101.23 144.26 30.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.955 1.409 . . . . 0.0 109.328 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.452 ' HG ' ' H ' ' A' ' 46' ' ' ASP . 14.3 tp -116.2 173.41 6.6 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.98 1.425 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 7.7 m-20 -81.69 89.72 6.28 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.052 1.47 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 7.5 pt-20 -50.23 98.42 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.956 1.41 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.04 72.79 1.21 Allowed Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -154.73 155.31 34.32 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.047 1.086 . . . . 0.0 109.252 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' CD ' HG23 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -76.74 114.01 15.03 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.119 1.512 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.64 145.91 26.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.74 174.82 7.06 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.494 ' CE2' HG22 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -170.24 -177.56 2.53 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.942 1.401 . . . . 0.0 109.383 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.41 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.0 t -113.47 69.39 0.7 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.068 1.48 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.9 OUTLIER -34.69 119.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.05 1.469 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.41 140.27 20.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.063 1.477 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 80.02 140.03 0.07 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.5 -167.41 24.99 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . 59.1 103.53 0.02 OUTLIER 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.961 1.036 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.0 tptp 96.38 -43.63 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.37 101.82 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 165.56 30.94 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.549 2.833 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.66 -173.84 4.52 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.395 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.67 -158.96 0.9 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.003 1.439 . . . . 0.0 109.302 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.28 173.14 40.06 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 41.78 77.75 0.05 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.951 1.03 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.542 HG21 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -93.02 161.62 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.928 1.392 . . . . 0.0 109.351 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -145.56 119.21 9.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.064 1.477 . . . . 0.0 109.334 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.63 127.17 31.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.344 0.352 0 O-C-N 124.975 1.422 . . . . 0.0 109.27 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.61 158.45 12.88 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 161.92 1.82 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.056 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.522 ' CE ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -117.02 156.26 27.82 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -76.84 147.85 36.89 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.062 1.476 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.589 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . -163.14 106.88 0.29 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.673 ' CG2' ' HZ1' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -84.59 125.43 40.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.949 1.029 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.615 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 3.3 p -65.06 143.8 15.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.869 1.356 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 15.8 mmtt -126.63 -66.12 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.995 1.434 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.504 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.97 71.95 1.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.993 1.433 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.706 ' CG ' ' O ' ' A' ' 12' ' ' PHE . 1.6 p90 -103.85 51.65 0.78 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.986 1.429 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -37.63 97.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.861 1.351 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 62.38 0.93 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.948 1.405 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -159.53 -72.07 0.08 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.044 1.465 . . . . 0.0 109.338 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 3.8 ptmt -130.8 -40.76 1.19 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . -52.37 -15.87 3.08 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 12.0 m-85 78.67 -159.42 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.0 1.059 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' C ' HG11 ' A' ' 32' ' ' VAL . . . -109.05 142.0 16.06 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.435 ' HE1' ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -149.94 113.85 5.09 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.893 0.996 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 22' ' ' THR . 66.5 mt -114.0 164.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -109.47 116.82 54.09 Favored Pre-proline 0 C--O 1.238 0.494 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.531 ' HD3' HG13 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.85 -159.48 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.557 2.838 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -147.2 -11.04 0.43 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.889 1.368 . . . . 0.0 109.179 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -130.02 -72.52 0.57 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.908 1.38 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.19 84.06 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p 57.72 -150.77 0.43 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.947 1.028 . . . . 0.0 109.352 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -138.16 48.03 1.98 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.878 1.361 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.435 ' CB ' ' HE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -162.52 145.88 11.41 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.098 1.499 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG13 ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -163.55 109.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.069 1.481 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -68.61 143.51 54.82 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.968 1.418 . . . . 0.0 109.243 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.591 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -145.78 170.94 5.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.949 1.406 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.591 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.4 m-70 -136.82 142.51 42.89 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 125.048 1.467 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -57.6 -171.85 0.01 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m 68.03 6.72 5.36 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.949 1.405 . . . . 0.0 109.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 -18.58 9.0 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.937 1.398 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.503 ' O ' ' CG1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -71.07 60.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 35.6 40.3 0.08 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.447 . . . . 0.0 109.258 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 4.6 p-10 42.39 -160.39 0.01 OUTLIER 'General case' 0 C--O 1.242 0.658 0 O-C-N 125.054 1.471 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER 145.63 -52.24 0.01 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.901 1.376 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.06 -76.64 0.31 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -67.98 119.98 13.49 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.075 1.103 . . . . 0.0 109.267 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -40.73 101.72 0.02 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.44 . . . . 0.0 109.321 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.869 ' O ' ' O ' ' A' ' 45' ' ' LEU . 63.4 m -68.53 -154.81 0.02 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.985 1.428 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.869 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 32.18 117.95 0.0 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.953 1.408 . . . . 0.0 109.322 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.0 47.12 1.43 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.038 1.461 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 72.28 89.64 0.1 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 0.0 109.337 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.458 ' H ' HG11 ' A' ' 9' ' ' VAL . . . 106.78 100.27 2.65 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' HG2' ' CG1' ' A' ' 51' ' ' VAL . 1.9 tt0 -172.13 127.82 0.58 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 125.074 1.102 . . . . 0.0 109.358 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.673 ' HZ1' ' CG2' ' A' ' 8' ' ' ILE . 6.5 tttp -75.56 123.33 25.3 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.504 ' HA ' ' H ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -145.09 145.46 20.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 125.06 1.475 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.53 137.91 31.9 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.056 1.472 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.589 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -129.12 -164.99 1.45 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.939 1.4 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.522 ' HA ' ' CE ' ' A' ' 5' ' ' MET . 2.2 t -127.1 64.29 1.31 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 0.0 109.267 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.49 HG13 ' CE1' ' A' ' 53' ' ' PHE . 8.7 mt -38.38 114.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.997 1.435 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.34 163.68 31.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.228 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -105.44 135.67 46.4 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.921 1.388 . . . . 0.0 109.246 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.49 161.91 30.8 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 59.42 -86.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.904 1.002 . . . . 0.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 -42.33 0.18 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.03 -162.61 32.08 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -177.39 3.41 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.578 2.852 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.498 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . . . -167.96 161.58 12.94 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.09 1.494 . . . . 0.0 109.311 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.52 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -112.19 -147.43 0.42 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.907 1.379 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 66' ' ' ASN . . . 133.45 170.06 12.3 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.9 m-20 26.79 80.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.953 1.031 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.443 HG23 ' HB3' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -103.98 153.36 6.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 121.79 6.79 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.936 1.398 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.594 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -51.71 123.86 11.08 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 0.0 109.232 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.345 0.389 0 O-C-N 124.909 1.38 . . . . 0.0 109.259 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.4 ' HB3' ' H ' ' A' ' 3' ' ' GLY . 72.8 m . . . . . 0 C--O 1.24 0.599 0 CA-C-O 118.325 -0.845 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.4 ' H ' ' HB3' ' A' ' 2' ' ' SER . . . 174.35 136.53 2.26 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -85.94 -178.91 6.69 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.057 1.092 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.449 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -70.68 126.15 28.81 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.056 1.472 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -83.92 157.97 21.75 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.082 1.488 . . . . 0.0 109.205 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' HA3' ' CE1' ' A' ' 53' ' ' PHE . . . 175.56 138.46 2.81 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.506 HG23 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.89 166.66 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 124.971 1.042 . . . . 0.0 109.221 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.562 ' HB ' ' CG ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.39 146.41 15.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.013 1.446 . . . . 0.0 109.309 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HZ3' ' HG3' ' A' ' 10' ' ' LYS . 15.6 mmtp -115.79 -58.96 2.05 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.936 1.398 . . . . 0.0 109.22 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.17 131.05 53.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.061 1.476 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.98 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -107.49 152.92 23.58 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.524 ' C ' ' CE2' ' A' ' 34' ' ' PHE . 6.1 m-80 -142.86 105.63 4.51 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.993 1.433 . . . . 0.0 109.264 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.487 ' HB1' ' CE2' ' A' ' 12' ' ' PHE . . . -105.41 10.12 33.45 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.942 1.401 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.59 -31.52 41.82 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.03 1.456 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -130.39 -19.66 3.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.988 1.43 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.06 64.88 1.34 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.9 m-85 -145.41 35.13 1.07 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.09 . . . . 0.0 109.28 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 34' ' ' PHE . . . -33.57 130.05 0.39 Allowed Glycine 0 C--N 1.344 1.015 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.62 110.45 21.6 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.046 1.086 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.578 HG13 ' CG1' ' A' ' 32' ' ' VAL . 1.2 mt -100.7 163.42 3.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.032 1.458 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.426 HG23 ' CD1' ' A' ' 8' ' ' ILE . 1.1 m -128.04 112.52 20.16 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.92 1.388 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -175.55 2.39 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.523 2.815 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -94.94 -39.5 10.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.466 . . . . 0.0 109.254 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.411 ' H ' ' H ' ' A' ' 26' ' ' GLY . 10.2 p-10 -165.04 -1.88 0.03 OUTLIER 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.068 1.48 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' H ' ' H ' ' A' ' 25' ' ' ASP . . . -83.52 76.75 2.2 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.85 -164.15 0.04 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.096 . . . . 0.0 109.323 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.95 -169.9 1.62 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.032 1.457 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.27 128.8 4.8 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.007 1.442 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -119.04 141.17 40.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.422 . . . . 0.0 109.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 17.4 p90 -89.98 151.85 21.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.578 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -153.17 145.71 14.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.935 1.397 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.508 ' HD1' ' N ' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -80.62 132.26 35.6 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.024 1.453 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.98 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 19.0 m-30 -71.54 44.8 0.1 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.044 1.465 . . . . 0.0 109.233 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 33' ' ' HIS . 2.0 t -108.29 -2.55 19.16 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.075 1.484 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 24.11 3.94 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.96 1.413 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 60.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.914 1.383 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' H ' HE21 ' A' ' 38' ' ' GLN . 0.5 OUTLIER -42.68 97.72 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.436 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 162.16 102.0 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.981 1.425 . . . . 0.0 109.262 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -86.84 122.89 31.34 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.063 1.477 . . . . 0.0 109.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.89 -142.56 7.46 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -58.32 120.28 8.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.965 1.038 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -68.62 72.44 0.22 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.995 1.434 . . . . 0.0 109.362 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -170.1 129.09 0.9 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -167.5 1.64 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.044 1.465 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.562 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 3.0 m-20 58.6 -176.44 0.08 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.988 1.43 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 29.6 tt0 89.48 29.28 0.02 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.82 73.67 1.27 Allowed Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.179 -1.569 . . . . 0.0 109.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' HG3' ' CG1' ' A' ' 51' ' ' VAL . 1.4 tp-100 -148.54 124.54 10.68 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.998 1.058 . . . . 0.0 109.389 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' CG ' HG23 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -81.77 114.52 20.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.957 1.411 . . . . 0.0 109.306 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.417 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 2.7 m -120.74 -168.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.886 1.366 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.15 140.88 25.7 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.024 1.453 . . . . 0.0 109.371 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -134.34 -157.21 0.79 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.005 1.441 . . . . 0.0 109.414 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 55' ' ' ILE . 2.6 t -143.28 27.69 1.56 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.054 1.471 . . . . 0.0 109.385 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.524 ' CG2' ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER 52.42 169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.932 1.395 . . . . 0.0 109.21 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.524 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.1 mm-40 -145.26 -139.57 0.1 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.89 1.369 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 80.29 104.4 0.07 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.002 1.438 . . . . 0.0 109.204 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.02 -34.07 1.42 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.82 -41.17 3.62 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.994 1.055 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HG2' ' H ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -179.2 -58.42 0.01 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.085 1.49 . . . . 0.0 109.348 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.488 ' H ' ' HG2' ' A' ' 60' ' ' LYS . . . -52.63 112.04 1.92 Allowed Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.488 ' O ' ' CZ ' ' A' ' 31' ' ' PHE . 18.6 Cg_endo -74.87 162.17 37.82 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.568 2.845 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 31' ' ' PHE . . . -174.41 -160.31 0.1 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.284 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.02 147.91 33.14 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.919 1.387 . . . . 0.0 109.357 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -126.69 160.78 21.04 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.244 -1.543 . . . . 0.0 109.244 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 46.86 64.73 1.43 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.056 . . . . 0.0 109.355 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.82 112.98 25.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.374 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.88 136.26 54.13 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.995 1.434 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 p -70.52 127.61 33.31 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.957 1.41 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.975 1.422 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.239 0.515 0 CA-C-O 118.392 -0.813 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.59 -159.72 13.66 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 162.55 15.67 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.015 1.067 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.521 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -112.29 136.61 51.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.99 1.431 . . . . 0.0 109.274 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 31.6 p -79.85 161.2 25.75 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.927 1.392 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.514 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 174.46 127.64 1.02 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.564 HG23 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -91.49 144.48 9.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.047 1.086 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -104.13 160.34 4.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.066 1.479 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 9.7 mtmt -158.46 -23.3 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.942 1.402 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.505 ' CZ3' ' HB2' ' A' ' 10' ' ' LYS . 7.9 m-90 -94.92 25.21 4.26 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.036 1.46 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CZ ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -80.25 136.65 36.5 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.013 1.446 . . . . 0.0 109.357 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.553 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -143.14 115.04 8.25 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 0.0 109.288 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.18 22.66 13.67 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.033 1.458 . . . . 0.0 109.224 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.553 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 3.0 t0 -88.23 -45.15 10.31 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.6 -30.42 9.03 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 109.53 55.0 0.56 Allowed Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.447 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 23.1 m-85 -169.21 157.46 7.66 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.001 1.059 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.91 -179.23 47.16 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CZ ' ' CB ' ' A' ' 31' ' ' PHE . 10.0 m-85 -137.47 161.15 37.13 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.084 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.545 ' HB ' ' CG2' ' A' ' 30' ' ' VAL . 2.6 mt -122.08 158.8 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.038 1.461 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.4 113.92 36.63 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.064 1.478 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 104.02 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.506 2.804 . . . . 0.0 110.996 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -48.65 -36.74 16.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -82.32 -35.38 27.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.031 1.457 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 23' ' ' PRO . . . -84.08 -135.24 2.87 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.0 p -169.41 -40.8 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.06 . . . . 0.0 109.374 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.24 -169.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -129.68 112.03 13.26 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.988 1.43 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.545 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 27.4 m -78.01 132.09 33.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 125.002 1.438 . . . . 0.0 109.381 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 1.9 p90 -85.9 133.75 33.93 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.02 1.45 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -150.56 166.2 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.01 1.443 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -111.6 128.58 56.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.962 1.414 . . . . 0.0 109.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.447 ' CE1' ' HE3' ' A' ' 43' ' ' LYS . 97.2 m-85 56.38 23.97 7.91 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.079 1.487 . . . . 0.0 109.293 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.472 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 0.3 OUTLIER 73.01 24.18 2.58 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 37.23 35.43 0.05 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.05 1.469 . . . . 0.0 109.25 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' CG2' HD11 ' A' ' 45' ' ' LEU . 4.3 pt -53.72 179.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.053 1.47 . . . . 0.0 109.289 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.11 41.74 1.42 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.97 151.09 19.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.064 1.477 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.37 117.09 15.79 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.022 1.451 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 63.03 -98.0 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.541 ' C ' ' O ' ' A' ' 41' ' ' GLY . 7.4 m-85 31.1 72.63 0.06 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.053 . . . . 0.0 109.28 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 2.2 mmtm -59.92 91.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.917 1.385 . . . . 0.0 109.229 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.868 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -113.92 -156.14 0.59 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.976 1.423 . . . . 0.0 109.366 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.868 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 32.28 118.15 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.929 1.393 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HB2' ' H ' ' A' ' 47' ' ' GLU . 4.5 p30 -84.83 -152.99 0.15 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' H ' ' HB2' ' A' ' 46' ' ' ASP . 3.5 pt-20 -99.33 80.11 2.38 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.65 65.62 0.04 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 5.9 mt-30 -135.77 141.99 44.87 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.091 1.112 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' CG ' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -91.57 121.95 33.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 125.006 1.441 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.37 165.7 20.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -102.69 119.31 38.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.628 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -106.01 -166.7 1.22 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 0.0 109.251 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.8 t -121.76 29.4 7.16 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.472 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.64 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.0 mt 5.31 93.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.425 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.63 170.49 15.72 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.096 1.498 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 p -115.23 139.79 49.65 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.965 1.416 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.39 -88.52 1.25 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -133.2 85.7 2.24 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.97 1.041 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 85.92 -31.68 0.05 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.55 175.27 19.42 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.02 -175.83 2.57 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.569 2.846 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.87 163.84 0.35 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.014 1.446 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.503 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . . . -119.58 -149.13 0.43 Allowed 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.971 1.419 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.887 ' O ' ' HB2' ' A' ' 66' ' ' ASN . . . 131.42 94.28 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.887 ' HB2' ' O ' ' A' ' 65' ' ' GLY . 77.0 m-20 102.48 69.89 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.075 1.103 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.628 ' CG1' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -113.22 132.88 60.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 125.097 1.498 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.97 119.98 38.36 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.017 1.448 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -52.14 148.31 6.47 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.079 1.487 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.425 HD12 ' HZ3' ' A' ' 50' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.992 1.432 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.608 0 CA-C-O 118.382 -0.818 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.22 -116.25 4.5 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 162.24 17.73 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.003 1.061 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.97 144.98 39.19 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.491 ' HA ' ' HG ' ' A' ' 52' ' ' SER . 31.8 p -82.25 158.59 23.45 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.433 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.498 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.02 130.03 1.29 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.411 ' HA ' ' H ' ' A' ' 51' ' ' VAL . 0.3 OUTLIER -89.59 144.96 8.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.051 . . . . 0.0 109.259 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG21 ' CG1' ' A' ' 21' ' ' ILE . 3.5 p -86.37 146.43 6.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.044 1.465 . . . . 0.0 109.433 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mttt -116.94 -37.25 3.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -152.01 146.3 25.47 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.295 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 172.35 154.09 0.08 Allowed 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.928 1.392 . . . . 0.0 109.352 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.75 ' H ' ' CA ' ' A' ' 18' ' ' PHE . 5.6 t-20 78.4 -169.67 0.05 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.934 1.396 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' C ' ' H ' ' A' ' 16' ' ' LYS . . . 44.35 18.61 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' N ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER 63.61 -14.95 0.07 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.976 1.423 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.703 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -50.92 -22.91 2.48 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.946 1.404 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.89 -14.81 0.02 OUTLIER Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.75 ' CA ' ' H ' ' A' ' 13' ' ' ASN . 5.5 m-85 63.8 -78.68 0.03 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.025 1.074 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.484 ' CA ' HG11 ' A' ' 32' ' ' VAL . . . -124.22 113.55 2.06 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -151.38 108.84 3.61 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.07 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.488 ' CG1' HG21 ' A' ' 9' ' ' VAL . 11.5 mt -124.39 159.92 29.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.427 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.02 139.78 36.66 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.032 1.458 . . . . 0.0 109.253 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -177.6 3.6 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.471 2.781 . . . . 0.0 110.981 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -41.42 -34.62 0.56 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 0.0 109.396 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' A' ' 26' ' ' GLY . 2.4 p-10 173.82 -110.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.459 ' H ' ' CG ' ' A' ' 25' ' ' ASP . . . 62.95 -79.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.081 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.4 OUTLIER 159.53 170.67 0.01 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.041 1.083 . . . . 0.0 109.429 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 65.76 -175.11 0.18 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.968 1.417 . . . . 0.0 109.313 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -160.04 129.56 5.21 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.0 1.437 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' ' 30' ' ' VAL . 1.9 m -71.86 119.77 18.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.117 1.511 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -85.62 162.43 18.84 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.441 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -160.51 170.02 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.44 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.9 t60 -142.24 145.48 34.12 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.011 1.444 . . . . 0.0 109.398 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.545 ' O ' ' CB ' ' A' ' 35' ' ' SER . 7.4 m-85 -42.44 158.7 0.03 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.934 1.396 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.3 t 94.95 -14.32 0.1 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.42 14.95 7.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.738 HG12 ' H ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.94 179.66 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.738 ' H ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -118.39 99.36 6.79 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 178.02 159.13 0.48 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.985 1.428 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -143.57 122.26 12.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.034 1.459 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 85.6 143.81 7.04 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 31.11 62.74 0.22 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.952 1.03 . . . . 0.0 109.246 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HG3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.51 105.28 4.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.952 1.408 . . . . 0.0 109.332 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -170.25 129.35 0.89 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.0 1.438 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 8.0 tp -101.56 173.81 6.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.78 124.18 48.43 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.017 1.448 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.6 107.5 0.22 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.911 1.382 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 85.57 1.88 Allowed Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 50' ' ' LYS . 38.2 tt0 -160.81 162.42 32.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.087 1.11 . . . . 0.0 109.244 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -91.38 118.71 30.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.985 1.428 . . . . 0.0 109.223 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.411 ' H ' ' HA ' ' A' ' 8' ' ' ILE . 4.4 m -127.64 -161.57 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.953 1.408 . . . . 0.0 109.358 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.491 ' HG ' ' HA ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -144.77 176.82 9.16 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.046 1.466 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.498 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -168.76 -156.6 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.985 1.428 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.4 t -152.48 29.61 0.54 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.013 1.445 . . . . 0.0 109.255 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' THR . 5.5 mt 31.07 90.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' H ' ' A' ' 65' ' ' GLY . 1.7 mm-40 -65.81 -139.01 0.0 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.976 1.422 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.56 ' CA ' ' HA ' ' A' ' 62' ' ' PRO . 1.3 p 80.94 120.53 0.05 OUTLIER 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.977 1.423 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.405 ' H ' ' H ' ' A' ' 59' ' ' ALA . . . -161.26 -19.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -122.96 27.09 7.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.989 1.052 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 90.8 -19.03 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.03 1.456 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.29 106.44 2.76 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.56 ' HA ' ' CA ' ' A' ' 57' ' ' SER . 18.1 Cg_endo -75.05 175.18 11.58 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.562 2.841 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 177.36 -161.53 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 O-C-N 124.947 1.405 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.568 ' HB2' ' CG1' ' A' ' 32' ' ' VAL . . . -138.71 102.02 4.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' C ' ' A' ' 66' ' ' ASN . . . -97.27 -177.28 34.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 125.13 1.519 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.525 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.6 m-20 25.69 57.97 0.06 Allowed 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.966 1.039 . . . . 0.0 109.259 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -85.03 168.23 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.529 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -167.19 129.76 1.71 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.048 1.468 . . . . 0.0 109.34 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.507 ' CB ' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.87 130.77 35.22 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 C--N 1.345 0.386 0 O-C-N 125.044 1.465 . . . . 0.0 109.335 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.4 158.71 24.15 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -87.37 -169.9 2.81 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.97 1.041 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.458 ' CG ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -122.03 143.97 49.18 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.024 1.452 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.9 p -83.5 139.55 32.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.993 1.433 . . . . 0.0 109.245 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.507 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . -172.6 113.81 0.49 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.576 ' HA ' ' HA ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -73.58 138.83 20.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.065 . . . . 0.0 109.353 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.476 ' CG1' HG22 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -94.24 145.3 8.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.05 1.469 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -92.18 -48.39 6.73 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.997 1.435 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.583 ' CZ3' ' CG ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -122.63 164.61 17.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.415 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -174.36 117.06 0.21 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.986 1.429 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -146.06 138.98 25.73 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.961 1.413 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.523 ' CB ' ' CE1' ' A' ' 34' ' ' PHE . . . -107.84 33.36 4.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.076 1.485 . . . . 0.0 109.429 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -56.33 1.05 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.924 1.39 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.637 ' CD ' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.49 -60.89 3.13 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.017 1.448 . . . . 0.0 109.349 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 166.03 62.81 0.03 OUTLIER Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 33' ' ' HIS . 0.3 OUTLIER 72.15 -159.69 0.11 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.093 1.114 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.93 -177.87 24.35 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CG ' ' CZ3' ' A' ' 11' ' ' TRP . 4.5 m-85 -115.46 140.63 48.97 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.968 1.04 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.567 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.8 mt -98.48 164.39 2.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.471 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.463 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -125.88 90.35 50.55 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.039 1.462 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 141.64 27.25 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.833 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.1 p-10 -58.87 -92.64 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.025 1.453 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.492 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.4 m-20 39.24 -101.73 0.03 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.08 1.488 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -139.45 38.32 1.65 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.5 p 91.19 -159.94 0.01 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.031 1.077 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' SER . 1.1 tttt 95.46 -176.06 0.01 OUTLIER 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.0 1.438 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.491 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 1.2 p30 -160.1 156.68 27.23 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.94 1.4 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.75 152.03 36.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.002 1.439 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CZ ' ' HB1' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.13 128.01 36.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.211 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.567 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -160.64 158.8 2.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -109.3 -156.52 0.59 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.952 1.407 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 14' ' ' ALA . 1.4 p90 -117.7 23.49 11.68 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 1.6 t -98.97 -17.26 18.41 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.96 1.413 . . . . 0.0 109.282 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.32 14.46 22.3 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.97 1.419 . . . . 0.0 109.234 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pp -72.32 -179.73 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.038 1.461 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.607 HE21 ' HB ' ' A' ' 68' ' ' THR . 2.8 mp0 -129.38 81.62 2.03 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -169.5 154.21 5.52 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -126.93 91.58 3.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.472 . . . . 0.0 109.371 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.24 -104.26 0.27 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' ' 44' ' ' SER . 7.2 t80 -67.61 84.82 0.19 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.123 1.131 . . . . 0.0 109.281 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 84.53 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 27.1 m -170.12 148.7 3.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.908 1.38 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.2 mt -114.46 -162.48 0.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.003 1.439 . . . . 0.0 109.364 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.36 130.57 40.89 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.061 1.476 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 119.06 8.52 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.083 1.489 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.69 67.76 1.38 Allowed Glycine 0 C--N 1.347 1.164 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.574 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -152.1 138.23 18.28 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.071 . . . . 0.0 109.206 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 8' ' ' ILE . 15.1 tttp -68.89 126.1 28.71 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.98 1.425 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 1.7 m -124.61 140.72 46.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.494 ' HG ' HG21 ' A' ' 68' ' ' THR . 96.8 p -85.23 67.65 10.23 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.784 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 9.5 p90 -73.6 -163.96 0.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.534 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.3 t -158.37 72.3 0.61 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.969 1.418 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.534 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -24.4 126.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.94 1.4 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -141.16 -170.6 3.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.058 1.474 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.15 140.1 18.25 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.97 1.419 . . . . 0.0 109.377 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.65 40.4 2.11 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.321 -1.511 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 43.63 44.14 5.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.947 1.028 . . . . 0.0 109.231 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 61.88 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.045 1.466 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.18 155.32 31.88 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.03 109.42 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.498 2.799 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' A' ' 31' ' ' PHE . . . -102.6 176.03 5.3 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.044 1.465 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.7 103.69 3.12 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.421 . . . . 0.0 109.203 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.84 54.23 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.784 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 79.6 m-20 61.59 113.97 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.982 1.048 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.424 ' CG1' HD12 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -125.86 7.38 4.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.997 1.436 . . . . 0.0 109.298 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.607 ' HB ' HE21 ' A' ' 38' ' ' GLN . 6.1 t -67.16 167.86 11.34 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.945 1.403 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.65 159.61 15.74 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.943 1.402 . . . . 0.0 109.367 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.959 1.412 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.83 -45.62 3.45 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 160.83 26.66 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.964 1.037 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.509 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -127.13 151.06 49.15 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.969 1.418 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -92.19 154.99 18.31 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.016 1.447 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.23 128.64 1.64 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.509 HG23 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -90.09 155.81 3.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 O-C-N 124.997 1.057 . . . . 0.0 109.305 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 HD13 ' A' ' 45' ' ' LEU . 14.9 p -107.39 151.91 9.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -140.13 -14.11 1.03 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.077 1.486 . . . . 0.0 109.352 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.432 ' CD1' ' N ' ' A' ' 11' ' ' TRP . 2.1 m95 -98.54 -128.41 0.18 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.504 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER 75.98 116.35 0.06 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.867 1.354 . . . . 0.0 109.345 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.742 HD22 ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -138.25 137.09 37.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.027 1.454 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.72 8.13 34.96 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.968 1.417 . . . . 0.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.491 ' CB ' ' OD1' ' A' ' 13' ' ' ASN . 5.4 t0 -86.23 -64.8 1.09 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.047 1.467 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.742 ' N ' HD22 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -79.32 -24.18 42.98 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 125.004 1.44 . . . . 0.0 109.187 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.671 ' H ' HD22 ' A' ' 13' ' ' ASN . . . 90.84 69.74 1.2 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -175.06 163.98 3.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.013 1.067 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.5 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -154.72 170.69 33.06 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.427 ' H ' ' HB2' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -150.29 128.39 11.93 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.901 1.0 . . . . 0.0 109.288 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.55 ' CG1' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -90.59 167.24 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.028 1.455 . . . . 0.0 109.23 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.51 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.23 96.52 12.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.551 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 18.6 Cg_endo -74.9 123.97 8.33 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.542 2.828 . . . . 0.0 111.07 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -67.91 0.24 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.931 1.394 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -60.15 -32.85 71.42 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.901 1.375 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.84 73.06 1.6 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.251 -1.539 . . . . 0.0 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.21 -31.98 0.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.092 1.113 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -169.51 0.01 OUTLIER 'General case' 0 C--O 1.238 0.497 0 O-C-N 125.019 1.45 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.99 141.81 40.44 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.069 1.481 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -116.71 147.42 20.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CZ ' ' CA ' ' A' ' 63' ' ' ALA . 5.7 p90 -74.08 144.91 44.8 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.912 1.382 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -154.8 169.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.951 1.407 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.572 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -136.63 155.32 50.07 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.055 1.472 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 37' ' ' ILE . 54.4 p90 -48.96 -18.25 0.27 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.119 1.512 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' HIS . 46.9 t -88.63 41.83 1.04 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.029 1.456 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.672 ' C ' ' H ' ' A' ' 38' ' ' GLN . . . -140.82 -29.78 0.66 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.047 1.467 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.491 ' HB ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.43 15.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.672 ' H ' ' C ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -46.85 100.98 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.424 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.593 ' CG ' ' H ' ' A' ' 40' ' ' ASP . 5.1 t-20 -123.91 -168.59 1.81 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.943 1.402 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.593 ' H ' ' CG ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -43.83 -42.24 5.53 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.91 1.381 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.01 -35.23 0.02 OUTLIER Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -46.36 120.84 3.04 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.0 1.059 . . . . 0.0 109.356 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.48 141.43 46.24 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.954 1.409 . . . . 0.0 109.311 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 80.57 133.64 0.06 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.019 1.449 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.609 HD23 ' N ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -64.62 165.44 10.19 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.884 1.365 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.5 t0 -114.38 24.1 12.21 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.987 1.429 . . . . 0.0 109.213 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 14.0 pt-20 34.95 49.16 0.38 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.946 1.404 . . . . 0.0 109.388 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.68 83.95 0.05 OUTLIER Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' HG3' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -174.39 142.36 0.77 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.968 1.04 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.509 ' CG ' HG23 ' A' ' 8' ' ' ILE . 1.3 ttpp -78.76 132.77 37.05 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.995 1.434 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.593 ' CG1' ' HA ' ' A' ' 69' ' ' SER . 1.6 m -150.26 162.21 3.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.47 162.82 25.21 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 23' ' ' PRO . 0.8 OUTLIER -159.31 145.49 16.42 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 125.008 1.443 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.467 HG22 ' HB2' ' A' ' 66' ' ' ASN . 1.4 p -137.48 49.76 1.98 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.495 HD12 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -30.63 137.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 125.072 1.483 . . . . 0.0 109.3 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -112.36 153.37 27.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.883 1.364 . . . . 0.0 109.226 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 p -93.22 134.58 35.27 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 0.0 109.173 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.737 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . -177.23 66.17 0.09 OUTLIER Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.737 ' CB ' ' O ' ' A' ' 58' ' ' GLY . . . 114.97 -165.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.068 . . . . 0.0 109.236 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -93.6 36.75 1.07 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.949 1.405 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.36 109.59 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.06 109.61 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.464 2.776 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.584 ' CA ' ' CZ ' ' A' ' 31' ' ' PHE . . . -91.04 144.86 25.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.04 1.462 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.12 119.11 14.78 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.039 1.462 . . . . 0.0 109.365 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.88 130.98 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.467 ' HB2' HG22 ' A' ' 54' ' ' THR . 67.6 m-20 55.41 100.82 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.988 1.052 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.657 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -133.93 99.1 2.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 125.045 1.466 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.36 119.41 37.9 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.071 1.482 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.593 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 21.0 p -55.67 134.91 51.53 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.53 ' H ' HG13 ' A' ' 51' ' ' VAL . 95.8 mt . . . . . 0 C--N 1.344 0.346 0 O-C-N 125.009 1.443 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.2 161.02 29.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.048 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.58 138.64 39.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.034 1.459 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -94.16 157.98 15.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.064 1.478 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.96 -159.44 18.3 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -148.16 138.2 16.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.993 1.055 . . . . 0.0 109.304 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.78 135.81 24.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.97 1.419 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.35 -61.06 1.42 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -125.77 156.91 38.71 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.066 1.479 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.443 ' HA ' ' CA ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.5 127.88 1.17 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.56 134.64 51.68 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.959 1.412 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.45 -13.34 16.66 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -37.48 66.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.018 1.449 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -38.5 10.83 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 100.33 50.63 1.3 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 23.0 m-85 -165.47 159.32 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.973 1.043 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -159.16 -178.89 33.58 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -133.61 125.9 29.76 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.068 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG1' HG11 ' A' ' 32' ' ' VAL . 1.2 mt -103.74 164.88 3.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -133.15 97.68 16.29 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.013 1.446 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.83 17.02 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.473 2.782 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -70.06 0.09 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.001 1.438 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.76 -34.23 69.34 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.008 1.442 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.24 69.08 1.85 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -32.64 0.22 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.995 1.056 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -57.84 -173.88 0.01 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.022 1.451 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.79 132.45 43.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.016 1.448 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 55' ' ' ILE . 24.5 m -118.21 156.09 20.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.995 1.434 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.06 155.26 19.19 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.966 1.416 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG11 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -140.58 162.11 23.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.018 1.449 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.422 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -132.07 167.32 19.93 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.028 1.455 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -98.9 41.18 1.15 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -123.49 20.25 9.57 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.98 1.425 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -170.46 37.53 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.433 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.603 ' CG1' ' H ' ' A' ' 38' ' ' GLN . 10.0 tt -88.55 -179.14 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.603 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 17.2 mp0 -139.71 75.57 1.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.931 1.395 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -146.56 42.86 1.18 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.956 1.41 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 58.89 -92.3 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -142.26 -141.89 3.97 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.5 t80 31.16 72.74 0.06 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.082 1.107 . . . . 0.0 109.287 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 18.0 mmtp -50.2 120.8 4.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.965 1.415 . . . . 0.0 109.326 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.99 133.73 1.21 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.45 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -137.39 159.02 43.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.96 160.79 14.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 11.1 pt-20 -92.26 120.91 33.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.99 1.431 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.11 41.01 9.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -106.2 148.34 28.02 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.048 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -79.54 119.36 22.41 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.018 1.449 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.23 159.03 29.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.42 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -113.34 171.96 7.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.029 1.455 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE1' HG21 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -169.85 -161.45 0.28 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.985 1.428 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.4 t -154.24 29.58 0.45 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.038 1.461 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.506 ' CD1' HG11 ' A' ' 30' ' ' VAL . 1.1 mm 34.35 83.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.015 1.447 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.58 161.76 24.6 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.984 1.428 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -119.01 139.35 51.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.452 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.25 -38.2 0.02 OUTLIER Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.42 -77.43 0.6 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.039 1.082 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -86.61 0.4 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -131.46 -73.71 0.11 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.443 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 18.5 Cg_endo -74.95 145.79 32.06 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . . . 175.49 101.26 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 38.33 -143.02 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.984 1.428 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.663 ' O ' HG22 ' A' ' 54' ' ' THR . . . 120.43 83.49 0.77 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 56.94 64.18 1.72 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.047 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -81.65 104.39 10.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.043 1.465 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -121.53 148.04 45.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.978 1.423 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -85.89 142.01 29.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.945 1.403 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.372 0 O-C-N 124.981 1.426 . . . . 0.0 109.314 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.93 177.79 5.33 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.051 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.39 148.35 7.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.987 1.429 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -85.12 146.74 26.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.941 1.401 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -173.74 129.49 1.66 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.441 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -97.74 140.43 17.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.075 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.574 ' CG1' ' HA ' ' A' ' 46' ' ' ASP . 1.7 p -78.47 155.01 5.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.404 . . . . 0.0 109.225 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -110.96 -63.74 1.36 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.094 1.496 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.87 166.16 25.7 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.002 1.439 . . . . 0.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -158.64 156.59 30.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 0.0 109.252 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 16' ' ' LYS . 4.0 p30 -131.12 131.82 44.39 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.006 1.441 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.76 -0.08 25.7 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.939 1.399 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -55.08 5.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.078 1.486 . . . . 0.0 109.381 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' CG ' ' OD1' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -81.4 -35.07 31.19 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.935 1.397 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 18' ' ' PHE . . . 101.54 60.08 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 17' ' ' GLY . 64.6 m-85 -158.33 153.38 25.36 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.051 1.089 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.31 170.8 20.79 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 29' ' ' ASP . 10.9 t80 -143.11 114.48 7.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.981 1.047 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.589 ' CD1' HG11 ' A' ' 67' ' ' VAL . 4.7 mt -107.94 168.81 3.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.976 1.423 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.544 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -139.72 108.93 7.17 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.999 1.437 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.537 2.825 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -106.61 -53.18 2.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.078 1.486 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -104.53 -10.59 17.52 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.959 1.412 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.43 -128.87 0.03 OUTLIER Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.4 p -116.76 -108.49 0.37 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.036 1.08 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -178.66 3.62 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.026 1.454 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -58.4 122.88 14.37 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.92 1.387 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.58 128.94 54.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 O-C-N 125.022 1.451 . . . . 0.0 109.266 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -73.83 157.89 35.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 0.0 109.345 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG23 ' H ' ' A' ' 34' ' ' PHE . 2.0 m -119.77 160.05 20.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.77 42.88 2.12 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.043 1.464 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' H ' HG23 ' A' ' 32' ' ' VAL . 1.7 m-30 46.18 -164.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.95 1.406 . . . . 0.0 109.264 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t 71.81 -26.59 0.18 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.964 1.415 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -138.43 52.84 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -133.34 60.84 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 125.032 1.457 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.432 ' HG2' ' HB ' ' A' ' 68' ' ' THR . 4.7 mm100 -36.3 100.23 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.942 1.401 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -109.97 -148.28 0.43 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.022 1.451 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.55 -62.5 1.52 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.96 1.412 . . . . 0.0 109.261 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.71 -72.37 0.02 OUTLIER Glycine 0 C--N 1.344 1.002 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.43 119.93 13.7 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.977 1.046 . . . . 0.0 109.315 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -50.38 97.92 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.972 1.42 . . . . 0.0 109.197 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.32 109.01 0.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.969 1.418 . . . . 0.0 109.255 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HG ' ' H ' ' A' ' 46' ' ' ASP . 10.4 tp -143.14 -139.71 0.11 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.275 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.574 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 6.9 p-10 41.98 -155.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.981 1.425 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 70.6 25.44 4.17 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.007 1.442 . . . . 0.0 109.25 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 49' ' ' GLN . . . 94.82 93.88 1.67 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . 73.3 mt-30 -158.85 141.82 14.54 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.043 1.084 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -89.14 117.62 28.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.027 1.454 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -128.74 176.0 9.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.009 1.443 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 p -132.67 142.85 49.28 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.925 1.39 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CE2' HG21 ' A' ' 21' ' ' ILE . 6.9 p90 -153.49 -159.6 1.01 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.04 1.463 . . . . 0.0 109.181 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 54' ' ' THR . 2.4 t -151.61 29.27 0.61 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.981 1.426 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt 36.95 86.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 125.049 1.468 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.538 ' HB2' ' CA ' ' A' ' 65' ' ' GLY . 3.0 mt-10 -82.19 178.41 8.28 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.962 1.414 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 t -149.69 123.88 9.5 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.051 1.469 . . . . 0.0 109.298 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.96 55.36 0.01 OUTLIER Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.48 -161.45 0.59 Allowed 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.044 1.085 . . . . 0.0 109.314 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -37.34 17.05 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.039 1.462 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.26 -151.68 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.98 3.03 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.454 2.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -113.58 164.91 13.05 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 139.22 38.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.897 1.373 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -109.85 141.21 16.09 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 52.1 50.49 18.37 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.97 1.041 . . . . 0.0 109.423 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -79.66 112.65 17.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.037 1.461 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -122.43 123.1 40.54 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.896 1.372 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -58.85 146.39 37.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.031 1.457 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.346 0.423 0 O-C-N 125.014 1.446 . . . . 0.0 109.24 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.603 ' HZ2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.15 160.92 19.83 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.37 152.63 41.82 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.069 1.481 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -81.31 171.64 14.56 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.912 1.383 . . . . 0.0 109.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.82 130.73 1.31 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.344 -1.503 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.544 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -103.6 143.9 14.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.941 1.024 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.26 148.4 6.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.014 1.446 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -113.64 -38.84 4.19 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.016 1.448 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -134.21 135.52 43.04 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.041 1.463 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.506 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.67 141.76 27.18 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.077 1.486 . . . . 0.0 109.226 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -123.87 124.02 41.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 0.0 109.344 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.471 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -108.69 23.0 15.17 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.921 1.388 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.618 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -94.83 -45.66 7.22 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' H ' HD21 ' A' ' 13' ' ' ASN . 2.2 pttm -104.22 -34.39 8.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.063 1.477 . . . . 0.0 109.203 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 112.8 64.57 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 43.8 m-85 -167.32 154.58 8.74 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.921 1.012 . . . . 0.0 109.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.02 140.75 6.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.454 ' CE2' ' CE1' ' A' ' 31' ' ' PHE . 1.3 m-85 -89.45 121.19 31.45 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.904 1.003 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.3 mt -110.25 161.86 8.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.411 ' N ' HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -134.78 108.02 10.76 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 18.1 Cg_endo -74.96 141.08 26.32 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.503 2.802 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -51.8 -91.52 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.899 1.374 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 33.4 t70 -57.98 -12.3 3.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 23' ' ' PRO . . . -89.73 84.9 1.38 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -52.28 144.27 13.12 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.075 1.103 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER 92.74 -169.82 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' LYS . 5.2 p-10 -132.84 114.15 13.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.67 140.66 15.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.97 155.34 38.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.097 1.498 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' CB ' ' HB2' ' A' ' 64' ' ' ALA . 1.2 m -150.07 175.09 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.08 1.488 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -144.58 155.22 43.54 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.979 1.424 . . . . 0.0 109.226 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -63.36 -156.44 0.01 OUTLIER 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.073 1.483 . . . . 0.0 109.402 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 73.61 -48.46 0.67 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.092 1.495 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.21 4.52 6.84 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.92 1.387 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.729 ' CD1' ' H ' ' A' ' 43' ' ' LYS . 1.1 pt -72.28 60.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' NE2' ' OD1' ' A' ' 66' ' ' ASN . 2.8 mt-30 -67.19 95.39 0.41 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.052 1.47 . . . . 0.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.448 ' CB ' ' HE2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 175.73 121.7 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 0.0 109.281 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t0 58.3 -91.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.933 1.396 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 171.73 153.76 9.38 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 t80 31.18 50.04 0.11 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.94 1.023 . . . . 0.0 109.379 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.729 ' H ' ' CD1' ' A' ' 37' ' ' ILE . 26.9 ttpp -64.45 136.65 57.29 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.424 . . . . 0.0 109.219 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -101.94 129.96 48.33 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.915 1.384 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 5.0 mt -86.77 153.88 21.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.965 1.416 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -137.86 159.01 43.15 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.004 1.44 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -76.68 100.37 5.37 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.008 1.442 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.42 54.22 0.45 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.06 143.59 49.42 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.043 1.084 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -101.22 103.18 14.2 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.916 1.385 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -113.29 -169.53 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.985 1.428 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.66 158.7 44.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.52 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -162.85 -157.8 0.46 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.989 1.431 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.619 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.3 t -121.44 29.65 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.985 1.428 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.619 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.8 mt 13.06 86.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.916 1.385 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 55' ' ' ILE . 1.9 mt-10 -177.34 133.96 0.18 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.881 1.363 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -97.13 29.99 2.93 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.462 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.28 -49.48 2.15 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 176.75 -39.2 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.045 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.96 -44.42 7.19 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.041 1.463 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.46 -164.58 32.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 156.09 42.79 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.54 2.827 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.03 -159.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 32' ' ' VAL . . . -74.52 -146.07 0.02 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.964 1.415 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' HG22 ' A' ' 54' ' ' THR . . . 133.44 98.07 0.64 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' OD1' ' NE2' ' A' ' 38' ' ' GLN . 70.0 m-20 60.13 62.36 1.64 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.95 1.029 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.65 101.01 5.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.049 1.468 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.99 139.43 50.69 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.952 1.408 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -45.3 160.93 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.033 1.458 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.411 0 O-C-N 125.028 1.455 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.55 160.85 13.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.027 1.075 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.507 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -120.47 140.04 51.99 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.437 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -71.88 167.29 20.34 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.941 1.4 . . . . 0.0 109.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.89 104.98 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.514 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -88.41 142.07 13.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.083 1.108 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 1.2 p -89.3 125.94 42.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.4 mttm -100.15 -41.59 7.06 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.08 1.487 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.445 ' CE3' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -131.57 159.37 38.41 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.43 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -173.71 119.71 0.29 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.862 1.351 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.694 HD21 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -90.76 125.73 35.79 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.902 1.376 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -105.3 28.46 7.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.011 1.444 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.99 -47.61 4.51 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.694 ' H ' HD21 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -98.72 -24.09 15.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.076 1.485 . . . . 0.0 109.365 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 103.17 43.9 1.82 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -118.3 160.09 22.24 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.064 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' HA3' ' CG2' ' A' ' 32' ' ' VAL . . . -145.48 141.4 9.78 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -117.56 109.61 16.91 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.9 1.0 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CD1' HG11 ' A' ' 32' ' ' VAL . 4.1 mt -102.66 150.33 6.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.06 1.475 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.522 HG22 ' HD2' ' A' ' 23' ' ' PRO . 1.9 m -114.66 140.7 25.66 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.916 1.385 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 22' ' ' THR . 18.1 Cg_endo -75.08 -165.07 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.528 2.819 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.708 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -67.24 0.51 2.73 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.06 1.475 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.708 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 31.3 t70 120.52 0.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.406 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -49.04 -17.14 0.84 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.8 t 98.77 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.977 1.045 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -48.93 151.97 1.14 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.39 115.99 21.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.425 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.511 ' HB ' ' H ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -101.95 132.73 47.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 p90 -90.19 163.5 14.78 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.959 1.412 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 21' ' ' ILE . 6.1 m -148.79 161.14 5.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.031 1.457 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -134.91 144.99 47.8 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 0.0 109.266 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.438 ' C ' ' H ' ' A' ' 36' ' ' ALA . 3.6 m-85 -42.95 -29.03 0.3 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.872 1.357 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -72.34 44.82 0.12 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.096 1.498 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.488 ' O ' ' CG2' ' A' ' 67' ' ' VAL . . . 174.45 74.48 0.0 OUTLIER 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.016 1.447 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.99 45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.991 1.432 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.505 ' HG2' ' HA ' ' A' ' 68' ' ' THR . 20.0 mm-40 37.73 37.25 0.11 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.964 1.415 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER 46.46 -163.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.432 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 2.6 t0 157.6 -47.55 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.971 1.419 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.24 -59.65 0.52 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -96.57 104.93 16.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.066 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -67.37 100.78 0.86 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.98 1.425 . . . . 0.0 109.323 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.48 136.68 7.52 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.468 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.25 165.18 29.12 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.922 1.389 . . . . 0.0 109.341 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.408 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 4.6 m-20 -114.45 150.37 34.87 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 11.1 pt-20 -79.44 73.56 6.08 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.938 1.399 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 152.32 63.79 0.01 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' NE2' ' OD1' ' A' ' 46' ' ' ASP . 28.2 mt-30 -133.82 152.6 51.92 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.888 0.993 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -95.96 124.18 39.87 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.951 1.407 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' THR . 1.7 m -129.08 162.71 35.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.25 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB3' HG23 ' A' ' 68' ' ' THR . 1.2 t -116.98 126.33 52.75 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.027 1.455 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 5' ' ' MET . 2.8 p90 -116.33 -175.73 2.81 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.063 1.477 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.6 t -135.31 29.5 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.908 1.38 . . . . 0.0 109.248 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mt 40.07 86.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.032 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 1.5 mt-10 -102.38 166.22 10.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.077 1.486 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -104.71 139.28 39.76 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 124.933 1.396 . . . . 0.0 109.364 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.25 -110.21 2.06 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.25 -70.11 0.64 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.987 1.051 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -43.87 -42.26 5.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.985 1.428 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.54 -93.81 0.1 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 171.51 18.18 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.408 2.738 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . . . 175.93 86.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.201 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.511 ' H ' ' HB ' ' A' ' 30' ' ' VAL . . . -50.1 131.51 23.33 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 54' ' ' THR . . . -112.38 153.15 17.59 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 48.79 63.2 2.21 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.015 1.067 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.529 ' O ' HG23 ' A' ' 67' ' ' VAL . 30.9 m -86.75 103.63 13.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.019 1.449 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 52' ' ' SER . 0.1 OUTLIER -91.94 125.78 36.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 p -86.32 126.53 34.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.411 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.406 0 O-C-N 125.008 1.443 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -99.93 158.62 15.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.087 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.506 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 3.8 ptp -156.92 164.69 37.77 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.061 1.476 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -78.29 172.66 13.26 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.456 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . 162.26 127.93 0.91 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.46 141.28 15.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.029 1.076 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.518 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 2.6 p -98.9 135.45 33.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.441 . . . . 0.0 109.217 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' CE ' ' HA2' ' A' ' 48' ' ' GLY . 9.7 mttt -151.17 13.6 0.68 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.545 ' HB2' ' CB ' ' A' ' 20' ' ' PHE . 1.2 m-90 -143.18 29.14 1.48 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.52 ' HA ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.18 117.59 23.02 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.063 1.477 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -126.49 89.05 2.94 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.026 1.454 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.96 20.3 0.37 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.879 1.362 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -105.97 -65.11 1.09 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.107 1.504 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' CD ' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.02 -42.12 98.83 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.467 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 121.34 52.7 0.23 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 16.5 m-85 -170.76 168.55 7.3 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.12 1.129 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 12' ' ' PHE . . . -170.36 110.18 0.36 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -91.34 152.4 20.46 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.019 1.07 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.538 HD11 ' CG1' ' A' ' 67' ' ' VAL . 34.1 mt -132.67 161.63 41.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.834 1.334 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -115.45 117.79 40.24 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.979 1.424 . . . . 0.0 109.258 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 -159.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.432 2.754 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -133.27 -5.22 3.01 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -44.4 -84.22 0.01 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.033 1.458 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.45 53.96 0.41 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 76.37 127.06 0.04 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.065 1.097 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm 169.97 -172.03 0.03 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.006 1.441 . . . . 0.0 109.358 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.452 ' OD2' ' CE1' ' A' ' 20' ' ' PHE . 6.6 p-10 -153.66 113.6 3.89 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.67 128.85 44.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -78.72 145.65 34.36 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.009 1.443 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG1' ' C ' ' A' ' 31' ' ' PHE . 1.7 m -152.56 162.88 2.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.098 1.499 . . . . 0.0 109.216 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -116.31 138.14 51.57 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.068 1.48 . . . . 0.0 109.268 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' ALA . 6.5 p90 -61.87 -160.94 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.929 1.393 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 17.46 0.33 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' PHE . . . -127.23 10.9 6.9 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.468 . . . . 0.0 109.211 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 9.8 tt -77.92 179.86 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.604 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 4.8 mm100 -91.95 32.21 1.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.007 1.442 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.91 171.61 0.07 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.96 1.413 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.9 t0 179.73 37.41 0.0 OUTLIER 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.984 1.428 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.59 -51.62 1.86 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -124.83 119.15 28.03 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.113 1.125 . . . . 0.0 109.285 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 94.4 0.02 OUTLIER 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.937 1.398 . . . . 0.0 109.247 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -166.54 160.94 15.72 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.937 1.398 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.644 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 2.7 tp -138.7 162.94 33.42 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.036 1.46 . . . . 0.0 109.366 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.0 103.86 13.39 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.943 1.402 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.97 103.53 0.07 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.074 1.484 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.499 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 115.95 51.01 0.42 Allowed Glycine 0 C--N 1.344 1.0 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.536 ' NE2' ' CG1' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -137.19 154.02 50.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.924 1.014 . . . . 0.0 109.243 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.91 126.8 33.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.951 1.407 . . . . 0.0 109.374 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.536 ' CG1' ' NE2' ' A' ' 49' ' ' GLN . 27.2 m -136.1 -162.42 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.15 -176.05 4.66 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.939 1.399 . . . . 0.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 47.8 p90 -170.29 163.92 8.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.7 t -113.94 60.02 0.67 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.087 1.492 . . . . 0.0 109.21 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER -27.84 132.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.014 1.446 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.07 119.89 28.78 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -94.67 127.83 40.92 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.036 1.46 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.05 -32.42 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.0 -152.41 0.51 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.035 1.079 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -112.63 82.89 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 154.65 131.8 1.54 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 117.18 4.79 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.447 2.765 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.46 154.92 12.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.057 1.473 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 54' ' ' THR . . . -174.79 -156.5 0.06 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.967 1.417 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' C ' HG22 ' A' ' 54' ' ' THR . . . -128.05 -142.64 5.5 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' OD1' HG21 ' A' ' 54' ' ' THR . 10.0 m120 56.87 55.76 5.94 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.065 . . . . 0.0 109.399 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -91.69 99.46 9.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.921 1.388 . . . . 0.0 109.293 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 4.1 t -119.34 151.3 38.7 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.934 1.396 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.3 p -86.82 130.99 34.24 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.043 1.464 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.98 1.425 . . . . 0.0 109.322 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -108.93 -155.68 0.56 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.953 1.031 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.482 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -88.36 150.93 22.93 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.431 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -77.75 168.99 19.06 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.122 1.514 . . . . 0.0 109.314 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 132.84 1.41 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.66 143.83 12.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.065 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 21' ' ' ILE . 2.4 p -83.73 142.06 13.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -34.49 6.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.025 1.453 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -139.9 133.87 30.82 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 125.046 1.466 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -138.0 118.91 14.24 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 0.0 109.254 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.575 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 66.3 m-20 -138.1 57.06 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.99 1.431 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 34' ' ' PHE . . . -73.22 68.53 1.02 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.915 1.384 . . . . 0.0 109.339 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -168.67 -29.85 0.02 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.056 1.473 . . . . 0.0 109.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -100.77 -60.25 1.56 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.037 1.461 . . . . 0.0 109.263 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.494 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . -151.07 30.03 0.99 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CG ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER 83.23 -163.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.928 1.017 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.39 177.58 19.72 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -132.35 135.97 46.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.058 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 3.2 mt -108.74 158.99 8.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.08 110.22 34.83 Favored Pre-proline 0 C--O 1.241 0.628 0 O-C-N 124.992 1.433 . . . . 0.0 109.211 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 18.1 Cg_endo -75.08 168.26 25.17 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.481 2.787 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -114.53 -45.94 2.99 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.438 . . . . 0.0 109.194 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -96.24 -18.76 19.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 -86.94 0.08 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.05 1.088 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 8.2 mttp -104.38 -172.62 2.14 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.947 1.405 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -90.56 145.02 25.21 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.535 ' CG1' HG23 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -117.64 163.58 14.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 125.004 1.44 . . . . 0.0 109.316 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 3.2 p90 -90.1 152.0 21.34 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.037 1.461 . . . . 0.0 109.355 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -158.29 153.83 5.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.224 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.506 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 5.4 p80 -111.39 177.97 4.49 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 2.7 p90 -69.29 -22.33 63.81 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.997 1.435 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.506 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -77.71 39.06 0.27 Allowed 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.934 1.396 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -169.81 66.93 0.05 Allowed 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.064 1.478 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.586 ' CG2' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -143.64 60.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.962 1.413 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 2.5 mp0 -41.55 99.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.011 1.444 . . . . 0.0 109.374 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 37' ' ' ILE . 42.7 p-10 -165.54 -144.0 0.07 Allowed 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.05 1.469 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-20 -35.17 -79.17 0.01 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.024 1.452 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.78 -38.17 0.24 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.503 ' O ' ' C ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -79.31 48.7 0.91 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.008 1.064 . . . . 0.0 109.266 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.586 ' HA ' ' CG2' ' A' ' 37' ' ' ILE . 0.0 OUTLIER 27.25 -136.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.071 1.482 . . . . 0.0 109.323 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.99 116.07 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD2' HG13 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -102.69 -157.32 0.6 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.082 1.489 . . . . 0.0 109.298 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -150.89 165.39 33.79 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.034 1.459 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -91.87 100.36 13.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.867 1.354 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.23 80.07 1.5 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -151.69 129.31 11.5 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.044 1.085 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.06 133.75 45.43 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.072 1.483 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.6 171.93 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.751 ' O ' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -124.19 126.62 46.44 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.567 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -144.78 -170.44 3.4 Favored 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.015 1.447 . . . . 0.0 109.326 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.81 HG22 ' O ' ' A' ' 65' ' ' GLY . 1.4 t -122.22 95.31 4.6 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.951 1.407 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.56 HG13 ' CE2' ' A' ' 53' ' ' PHE . 3.5 mp -70.95 67.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.058 1.474 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -179.73 127.45 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.0 t 66.67 140.11 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 0.0 109.342 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.534 ' HA3' ' CB ' ' A' ' 63' ' ' ALA . . . 175.88 -40.08 0.11 Allowed Glycine 0 C--N 1.346 1.134 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.77 -78.06 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.047 1.086 . . . . 0.0 109.379 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -63.2 1.4 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.085 1.491 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 62' ' ' PRO . . . -145.83 -96.26 0.19 Allowed Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.47 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.8 Cg_endo -74.93 135.95 19.9 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.532 2.821 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.534 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . . . -158.88 159.47 35.04 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.458 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -107.64 84.15 1.91 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.063 1.477 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.81 ' O ' HG22 ' A' ' 54' ' ' THR . . . -103.56 166.66 16.06 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 61.87 39.98 13.12 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.953 1.031 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.567 ' CG2' ' HB3' ' A' ' 53' ' ' PHE . 1.1 t -69.32 157.86 6.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 0.0 109.356 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -169.93 124.61 0.78 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.444 . . . . 0.0 109.374 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.3 p -66.93 132.44 47.97 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.042 1.464 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.346 0.432 0 O-C-N 124.924 1.39 . . . . 0.0 109.279 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.71 160.47 14.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.033 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.501 ' HG3' ' CD2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -138.75 155.4 48.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.45 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -89.74 166.73 13.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.977 1.423 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.31 135.52 1.83 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.76 164.72 2.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.063 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.538 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -104.23 129.03 57.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.035 1.459 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -102.9 -38.7 7.27 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -126.49 135.86 51.88 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.441 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.529 ' CD1' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -153.43 151.3 29.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.086 1.491 . . . . 0.0 109.221 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.57 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -160.44 87.53 0.77 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.071 1.482 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.1 59.56 1.39 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.887 1.367 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -167.88 -36.39 0.02 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.944 1.402 . . . . 0.0 109.234 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -93.05 -49.87 5.8 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.884 1.365 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.06 -90.92 0.08 OUTLIER Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -146.26 -172.07 3.86 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.071 . . . . 0.0 109.224 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.507 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -122.11 162.97 15.68 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -124.27 111.29 15.66 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 124.99 1.053 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -84.47 165.17 2.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.906 1.379 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.485 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.61 137.49 23.97 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 125.006 1.441 . . . . 0.0 109.269 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.551 ' CG ' ' H ' ' A' ' 28' ' ' LYS . 18.6 Cg_endo -75.02 -159.89 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.504 2.803 . . . . 0.0 111.013 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.709 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 1.9 p-10 -43.71 -27.57 0.33 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.709 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 27.6 t70 120.28 0.12 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 0.0 109.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.89 46.92 1.04 Allowed Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.63 -81.03 0.21 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.971 1.042 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' H ' ' CG ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER 169.91 139.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.982 1.426 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.76 135.11 49.35 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.966 1.416 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.96 128.11 60.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.052 1.47 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -88.29 144.28 26.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.982 1.426 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 1.1 p -160.17 151.15 5.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.112 1.507 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.546 ' CE1' ' CZ ' ' A' ' 34' ' ' PHE . 9.1 t-160 -79.6 111.1 15.55 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.546 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 9.8 m-85 73.69 -24.24 0.21 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER 85.7 30.65 0.04 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.976 1.422 . . . . 0.0 109.276 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB3' ' H ' ' A' ' 67' ' ' VAL . . . 37.14 54.69 1.27 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.945 1.403 . . . . 0.0 109.35 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.434 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 0.5 OUTLIER -72.09 61.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.871 1.357 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.582 ' H ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -42.79 96.27 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 O-C-N 124.967 1.417 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -166.11 -173.44 2.6 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.926 1.391 . . . . 0.0 109.23 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -105.15 0.0 OUTLIER 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.018 1.449 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -68.64 72.46 0.36 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.532 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.9 p90 31.31 47.94 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.049 . . . . 0.0 109.349 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER 23.99 -136.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 0.0 109.247 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.17 164.36 7.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.997 1.436 . . . . 0.0 109.406 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' A' ' 12' ' ' PHE . 85.6 mt -135.04 142.74 46.43 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.883 1.364 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 p30 -116.71 27.81 8.94 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.95 1.406 . . . . 0.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 42.52 53.4 4.68 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.58 70.53 0.01 OUTLIER Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.538 ' HG3' ' CG1' ' A' ' 9' ' ' VAL . 6.4 pt20 -150.32 143.92 25.2 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.068 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 2.4 tttp -78.72 133.34 37.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.448 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' A' ' 69' ' ' SER . 1.7 m -151.12 -175.44 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.01 1.443 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -130.89 173.69 10.72 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.024 1.452 . . . . 0.0 109.258 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD2' ' HG3' ' A' ' 5' ' ' MET . 0.1 OUTLIER -152.66 175.48 12.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.996 1.435 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.8 t -121.64 29.34 7.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.98 1.425 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt 60.83 160.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.034 1.458 . . . . 0.0 109.237 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -179.17 171.75 1.3 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.881 1.363 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.416 ' HA ' ' H ' ' A' ' 63' ' ' ALA . 1.3 t -152.34 133.4 14.24 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.916 1.385 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.1 -112.58 3.45 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.82 -75.18 0.58 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.994 1.056 . . . . 0.0 109.294 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -98.51 76.04 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.06 1.475 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.66 153.84 9.19 Favored Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 132.27 15.35 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.578 2.852 . . . . 0.0 111.011 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 56' ' ' GLU . . . -95.26 169.36 10.14 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -109.97 172.73 6.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.467 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.748 ' O ' HG22 ' A' ' 54' ' ' THR . . . -165.81 153.07 22.8 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 44.0 53.35 6.42 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.913 1.008 . . . . 0.0 109.24 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 52' ' ' SER . 0.2 OUTLIER -86.17 100.03 8.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.946 1.404 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.25 122.75 32.14 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.958 1.411 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.42 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 96.9 p -74.39 136.88 42.43 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.079 1.487 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.345 0.402 0 O-C-N 125.012 1.445 . . . . 0.0 109.327 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' A' ' 4' ' ' LYS . 8.9 mtmm -108.56 160.09 16.19 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.081 1.106 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.25 170.59 17.56 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.953 1.408 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -63.21 160.45 15.57 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.029 1.455 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 170.33 106.56 0.19 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.538 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -80.76 132.86 30.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.033 1.078 . . . . 0.0 109.335 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 46' ' ' ASP . 2.8 p -75.58 127.91 37.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 O-C-N 124.94 1.4 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 7.8 mttt -75.53 -84.76 0.05 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.915 1.384 . . . . 0.0 109.251 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.421 ' C ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -140.89 162.16 36.1 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.992 1.432 . . . . 0.0 109.314 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB3' ' CB ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -134.82 157.45 46.74 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.06 1.475 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.656 HD21 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -158.85 143.11 15.57 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -114.93 46.44 1.42 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.054 1.471 . . . . 0.0 109.22 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HB3' HD21 ' A' ' 13' ' ' ASN . 1.8 t70 -154.78 -64.8 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.256 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.656 ' H ' HD21 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -50.31 -49.89 52.29 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.053 1.471 . . . . 0.0 109.327 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.495 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 148.89 44.23 0.03 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 0.6 OUTLIER 83.88 -164.05 0.01 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.013 1.066 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.96 -159.39 8.92 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -137.6 160.5 39.01 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.027 1.075 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG2' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -113.49 169.35 5.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 125.007 1.442 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.554 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.92 113.45 7.67 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 125.046 1.466 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.77 6.83 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.583 2.855 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -36.89 0.23 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 125.029 1.455 . . . . 0.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' A' ' 27' ' ' SER . 43.8 t0 179.24 -111.98 0.0 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.006 1.441 . . . . 0.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.6 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . 66.19 -36.79 0.15 Allowed Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.611 ' H ' ' C ' ' A' ' 25' ' ' ASP . 4.9 t 100.31 155.76 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.902 1.001 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mttm 80.14 -169.64 0.04 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -152.62 139.34 18.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.98 121.97 44.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.04 1.462 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.16 155.04 0.05 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 0.0 109.267 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.439 HG11 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -156.42 149.84 10.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.969 1.418 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.719 ' CE1' ' CE2' ' A' ' 34' ' ' PHE . 83.0 t60 -151.51 158.27 43.38 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.046 1.466 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.719 ' CE2' ' CE1' ' A' ' 33' ' ' HIS . 6.5 p90 -61.75 174.69 0.76 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.112 1.508 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.2 t 95.0 -38.49 0.01 OUTLIER 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.935 1.397 . . . . 0.0 109.215 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.25 14.17 30.83 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.011 1.445 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.1 pt -92.96 60.23 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.996 1.435 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' H ' ' CD ' ' A' ' 38' ' ' GLN . 27.9 mp0 -41.44 95.78 0.01 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.903 1.377 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 37' ' ' ILE . 2.9 t30 -153.76 44.94 0.6 Allowed 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.936 1.398 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.1 t70 60.12 -95.26 0.05 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.914 1.384 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.549 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -128.17 -91.31 0.7 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.1 t80 31.26 52.1 0.16 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.07 . . . . 0.0 109.265 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 139.56 1.46 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.999 1.437 . . . . 0.0 109.317 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 79.46 118.04 0.06 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.91 1.381 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD13 ' H ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -140.49 -170.25 2.96 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.094 1.496 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.647 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 2.1 t0 84.23 157.07 0.1 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.075 1.484 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.7 tt0 138.11 5.65 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.07 49.29 0.42 Allowed Glycine 0 C--N 1.346 1.103 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -106.46 161.29 14.73 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.038 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -108.03 108.34 19.4 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.981 1.425 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 52' ' ' SER . 1.8 m -126.36 -167.63 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.896 1.372 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 51' ' ' VAL . 3.1 m -124.26 178.16 5.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.963 1.414 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 3.8 p90 -166.49 -177.86 4.19 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.939 1.399 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -139.6 85.26 2.03 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.487 HG13 ' CE1' ' A' ' 53' ' ' PHE . 23.1 mt -38.62 107.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.918 1.386 . . . . 0.0 109.241 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.88 -170.49 2.19 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -133.84 126.42 30.47 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.855 1.347 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.93 -89.35 1.91 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.249 -1.541 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.95 -77.99 0.59 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.078 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.86 76.66 1.74 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.052 1.47 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.07 159.96 8.46 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 162.46 36.73 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.466 2.777 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.18 148.78 27.3 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.998 1.436 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.96 117.13 34.39 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.007 1.442 . . . . 0.0 109.256 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.633 ' O ' HG22 ' A' ' 54' ' ' THR . . . -112.02 169.95 13.37 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 43.31 58.19 3.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.978 1.046 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.02 99.8 7.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.96 1.413 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.1 136.86 46.23 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.985 1.428 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.427 ' HA ' HG12 ' A' ' 51' ' ' VAL . 2.4 p -44.6 161.31 0.03 OUTLIER 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.915 1.385 . . . . 0.0 109.223 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.382 0 O-C-N 125.09 1.494 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.67 155.6 22.18 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.034 1.079 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.527 ' HG3' ' CD1' ' A' ' 53' ' ' PHE . 2.9 ptp -140.44 147.95 40.45 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.041 1.463 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.3 p -59.83 144.28 48.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.941 1.401 . . . . 0.0 109.212 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 122.51 0.88 Allowed Glycine 0 C--N 1.347 1.15 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.72 ' O ' HG22 ' A' ' 22' ' ' THR . 0.3 OUTLIER -99.06 135.13 35.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.931 1.018 . . . . 0.0 109.373 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' H ' ' A' ' 48' ' ' GLY . 7.8 p -74.72 128.8 36.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.965 1.416 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -88.19 -79.31 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.511 ' CD1' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -136.36 170.54 15.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 29.2 p90 -176.66 114.71 0.11 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.937 1.398 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 5.2 m-80 -81.8 118.08 22.6 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.977 1.423 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.48 26.07 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -106.54 -45.8 4.16 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.098 1.498 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.499 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.5 -37.02 21.82 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.461 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 106.89 69.0 0.69 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 92.7 m-85 -161.1 149.44 15.94 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.041 1.083 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.59 155.3 22.99 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -142.94 123.53 14.06 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.055 1.091 . . . . 0.0 109.354 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.65 145.92 23.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.047 1.467 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 8' ' ' ILE . 11.1 t -113.13 142.69 27.8 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.993 1.433 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HG2' ' H ' ' A' ' 27' ' ' SER . 18.5 Cg_endo -74.97 -160.28 0.1 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.94 -37.38 1.72 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.965 1.415 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -97.3 -29.31 13.62 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.026 1.454 . . . . 0.0 109.333 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.59 -115.67 0.07 OUTLIER Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.403 ' H ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER 175.65 -70.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.989 1.052 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 162.36 0.54 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.066 1.479 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.61 137.64 41.39 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 125.044 1.465 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 m -90.71 154.56 3.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.907 1.38 . . . . 0.0 109.253 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 18.7 p90 -89.21 140.83 29.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -160.56 166.63 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.914 1.384 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.542 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 2.0 t-160 -111.78 82.08 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.455 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.542 ' CZ ' ' CD2' ' A' ' 33' ' ' HIS . 2.3 m-85 77.78 -25.84 0.19 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.016 1.448 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.514 ' HB3' HG21 ' A' ' 67' ' ' VAL . 22.7 t 76.22 19.5 1.75 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.3 56.53 7.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.521 HD13 ' H ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -52.67 -179.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.034 1.459 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -117.27 61.43 0.74 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -128.56 160.1 33.45 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.1 -45.38 2.56 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -138.66 0.15 Allowed Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.16 120.42 7.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.071 . . . . 0.0 109.305 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -141.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.969 1.418 . . . . 0.0 109.381 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.54 164.65 0.09 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.057 1.473 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -105.27 -139.88 0.37 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.005 1.44 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.44 23.72 7.46 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 1.4 tt0 37.37 84.21 0.02 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.068 1.48 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.509 ' H ' HG13 ' A' ' 9' ' ' VAL . . . 99.13 90.12 2.0 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 25.6 tt0 -160.67 146.03 14.58 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.985 1.05 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -89.35 124.98 34.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.995 1.434 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.467 HG21 ' HB ' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -150.23 173.51 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 125.049 1.468 . . . . 0.0 109.359 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.95 106.7 18.99 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.0 1.438 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 0.5 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 66' ' ' ASN . 1.6 p -129.41 100.59 5.62 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.009 1.443 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 ' CE2' ' A' ' 53' ' ' PHE . 8.9 mt -42.44 157.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.914 1.384 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -132.33 127.98 36.71 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.051 1.469 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -122.0 113.94 20.27 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.897 1.373 . . . . 0.0 109.354 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.66 -41.85 0.33 Allowed Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.19 -74.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.063 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -40.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.963 1.414 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.61 -169.98 12.59 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.48 2.787 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . . . -139.92 178.16 7.45 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.949 1.405 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.508 ' H ' ' HB ' ' A' ' 32' ' ' VAL . . . -96.39 -153.05 0.4 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.995 1.434 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.426 ' O ' ' OG1' ' A' ' 54' ' ' THR . . . 149.33 133.72 2.24 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.538 ' O ' HG23 ' A' ' 54' ' ' THR . 71.8 m-20 56.54 109.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.081 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 35' ' ' SER . 0.9 OUTLIER -139.42 122.23 17.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 124.985 1.428 . . . . 0.0 109.219 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.33 119.44 34.65 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.995 1.435 . . . . 0.0 109.256 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.402 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 10.6 p -47.51 134.7 11.85 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.967 1.417 . . . . 0.0 109.218 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.985 1.428 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -164.68 1.11 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.004 1.061 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.4 ptp -165.37 157.25 14.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.41 . . . . 0.0 109.338 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -90.4 149.74 22.14 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.061 1.475 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.46 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -158.76 -155.02 7.43 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.479 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -149.37 140.72 17.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.986 1.05 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.31 136.3 27.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.047 1.467 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.19 -63.73 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.032 1.457 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.78 162.15 25.75 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.977 1.423 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -168.52 146.4 4.08 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.019 1.449 . . . . 0.0 109.347 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.5 ' CG ' ' CD ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -123.61 146.99 47.76 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.028 1.455 . . . . 0.0 109.342 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 34' ' ' PHE . . . -105.82 -53.38 2.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.448 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -63.65 -6.02 4.83 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.076 1.485 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.5 ' CD ' ' CG ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -130.79 -19.59 2.94 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.918 1.386 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 13' ' ' ASN . . . 54.33 73.68 0.39 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -130.68 31.04 4.59 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.049 . . . . 0.0 109.391 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.497 ' HA2' ' HB2' ' A' ' 12' ' ' PHE . . . -37.69 101.55 0.01 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.62 109.83 22.52 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.067 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.496 HG21 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -100.95 176.18 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.025 1.453 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.463 ' H ' HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -142.65 105.29 5.39 Favored Pre-proline 0 C--O 1.241 0.626 0 O-C-N 124.953 1.408 . . . . 0.0 109.237 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.31 0.23 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.501 2.801 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -136.59 -1.03 2.32 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 125.033 1.458 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.67 -44.62 9.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.35 44.14 0.05 OUTLIER Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.36 126.05 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.023 1.072 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 172.48 -172.78 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.13 1.519 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.54 124.79 5.69 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.432 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 3.0 m -101.76 111.64 32.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.95 1.406 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -90.41 124.65 35.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.042 1.463 . . . . 0.0 109.22 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' CG2' ' HA ' ' A' ' 35' ' ' SER . 1.2 p -160.5 156.38 3.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.02 1.45 . . . . 0.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -64.97 83.92 0.04 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.998 1.437 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 12' ' ' PHE . 18.1 m-30 49.89 28.86 3.02 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.086 1.491 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.553 ' CB ' HG23 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 37.84 33.01 0.04 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.024 1.452 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.26 64.6 1.17 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.051 1.469 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -47.22 178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 0.0 109.248 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 67' ' ' VAL . 21.5 mm-40 -105.25 32.02 4.51 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.892 1.37 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.526 HD21 ' H ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -82.13 -176.55 6.22 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -154.46 32.45 0.42 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.093 1.496 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.39 -34.7 0.28 Allowed Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.551 ' C ' ' H ' ' A' ' 44' ' ' SER . 5.3 m-85 -101.21 88.0 3.38 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.99 1.053 . . . . 0.0 109.303 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.679 ' H ' ' CE ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.95 17.72 0.07 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.04 1.462 . . . . 0.0 109.35 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.551 ' H ' ' C ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -101.23 144.26 30.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.955 1.409 . . . . 0.0 109.328 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 tp -116.2 173.41 6.6 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.98 1.425 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.69 89.72 6.28 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.052 1.47 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 7.5 pt-20 -50.23 98.42 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.956 1.41 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.04 72.79 1.21 Allowed Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -154.73 155.31 34.32 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.047 1.086 . . . . 0.0 109.252 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -76.74 114.01 15.03 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.119 1.512 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.64 145.91 26.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.405 ' CB ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -92.74 174.82 7.06 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.496 ' CE2' HG21 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -170.24 -177.56 2.53 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.942 1.401 . . . . 0.0 109.383 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.0 t -113.47 69.39 0.7 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.068 1.48 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.9 OUTLIER -34.69 119.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.05 1.469 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.41 140.27 20.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.063 1.477 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 80.02 140.03 0.07 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.5 -167.41 24.99 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . 59.1 103.53 0.02 OUTLIER 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.961 1.036 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.0 tptp 96.38 -43.63 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.37 101.82 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 165.56 30.94 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.549 2.833 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.66 -173.84 4.52 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.395 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.67 -158.96 0.9 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.003 1.439 . . . . 0.0 109.302 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.737 ' O ' HG22 ' A' ' 54' ' ' THR . . . 174.28 173.14 40.06 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 41.78 77.75 0.05 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.951 1.03 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -93.02 161.62 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.928 1.392 . . . . 0.0 109.351 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -145.56 119.21 9.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.064 1.477 . . . . 0.0 109.334 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.63 127.17 31.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.344 0.352 0 O-C-N 124.975 1.422 . . . . 0.0 109.27 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 161.92 1.82 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.056 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.536 ' CE ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -117.02 156.26 27.82 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -76.84 147.85 36.89 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.062 1.476 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.592 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . -163.14 106.88 0.29 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -84.59 125.43 40.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.949 1.029 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.603 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 3.3 p -65.06 143.8 15.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.869 1.356 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 15.8 mmtt -126.63 -66.12 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.995 1.434 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.97 71.95 1.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.993 1.433 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.706 ' CG ' ' O ' ' A' ' 12' ' ' PHE . 1.6 p90 -103.85 51.65 0.78 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.986 1.429 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -37.63 97.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.861 1.351 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 62.38 0.93 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.948 1.405 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -159.53 -72.07 0.08 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.044 1.465 . . . . 0.0 109.338 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 3.8 ptmt -130.8 -40.76 1.19 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . -52.37 -15.87 3.08 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 12.0 m-85 78.67 -159.42 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.0 1.059 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA2' ' HB2' ' A' ' 12' ' ' PHE . . . -109.05 142.0 16.06 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HE1' ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -149.94 113.85 5.09 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.893 0.996 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 22' ' ' THR . 66.5 mt -114.0 164.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -109.47 116.82 54.09 Favored Pre-proline 0 C--O 1.238 0.494 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD3' HG12 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.85 -159.48 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.557 2.838 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 25' ' ' ASP . 18.9 p-10 -147.2 -11.04 0.43 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.889 1.368 . . . . 0.0 109.179 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 24' ' ' ASP . 59.1 m-20 -130.02 -72.52 0.57 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.908 1.38 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.19 84.06 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p 57.72 -150.77 0.43 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.947 1.028 . . . . 0.0 109.352 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -138.16 48.03 1.98 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.878 1.361 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' CB ' ' HE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -162.52 145.88 11.41 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.098 1.499 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG12 ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -163.55 109.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.069 1.481 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -68.61 143.51 54.82 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.968 1.418 . . . . 0.0 109.243 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.591 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -145.78 170.94 5.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.949 1.406 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.591 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.4 m-70 -136.82 142.51 42.89 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 125.048 1.467 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -57.6 -171.85 0.01 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m 68.03 6.72 5.36 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.949 1.405 . . . . 0.0 109.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 -18.58 9.0 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.937 1.398 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.503 ' O ' ' CG1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -71.07 60.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 83.6 mm-40 35.6 40.3 0.08 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.447 . . . . 0.0 109.258 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 7.3 p30 42.39 -160.39 0.01 OUTLIER 'General case' 0 C--O 1.242 0.658 0 O-C-N 125.054 1.471 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER 145.63 -52.24 0.01 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.901 1.376 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.06 -76.64 0.31 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -67.98 119.98 13.49 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.075 1.103 . . . . 0.0 109.267 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -40.73 101.72 0.02 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.44 . . . . 0.0 109.321 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.869 ' O ' ' O ' ' A' ' 45' ' ' LEU . 63.4 m -68.53 -154.81 0.02 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.985 1.428 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.869 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 32.18 117.95 0.0 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.953 1.408 . . . . 0.0 109.322 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.0 47.12 1.43 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.038 1.461 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 72.28 89.64 0.1 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 0.0 109.337 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.459 ' H ' HG13 ' A' ' 9' ' ' VAL . . . 106.78 100.27 2.65 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.9 tt0 -172.13 127.82 0.58 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 125.074 1.102 . . . . 0.0 109.358 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HG3' ' HZ2' ' A' ' 50' ' ' LYS . 6.5 tttp -75.56 123.33 25.3 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.49 ' HA ' ' H ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -145.09 145.46 20.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 125.06 1.475 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.53 137.91 31.9 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.056 1.472 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -129.12 -164.99 1.45 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.939 1.4 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.2 t -127.1 64.29 1.31 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 0.0 109.267 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.492 HG13 ' CE1' ' A' ' 53' ' ' PHE . 8.7 mt -38.38 114.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.997 1.435 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.34 163.68 31.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.228 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -105.44 135.67 46.4 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.921 1.388 . . . . 0.0 109.246 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.49 161.91 30.8 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 59.42 -86.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.904 1.002 . . . . 0.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 -42.33 0.18 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.03 -162.61 32.08 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -177.39 3.41 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.578 2.852 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . . . -167.96 161.58 12.94 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.09 1.494 . . . . 0.0 109.311 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.503 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -112.19 -147.43 0.42 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.907 1.379 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.595 ' O ' HG22 ' A' ' 54' ' ' THR . . . 133.45 170.06 12.3 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.9 m-20 26.79 80.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.953 1.031 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.45 HG22 ' HB3' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -103.98 153.36 6.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 121.79 6.79 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.936 1.398 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.594 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -51.71 123.86 11.08 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 0.0 109.232 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.345 0.389 0 O-C-N 124.909 1.38 . . . . 0.0 109.259 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -85.94 -178.91 6.69 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.057 1.092 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.439 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -70.68 126.15 28.81 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.056 1.472 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -83.92 157.97 21.75 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.082 1.488 . . . . 0.0 109.205 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CE1' ' A' ' 53' ' ' PHE . . . 175.56 138.46 2.81 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.501 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.89 166.66 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 124.971 1.042 . . . . 0.0 109.221 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.566 ' HB ' ' CG ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.39 146.41 15.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.013 1.446 . . . . 0.0 109.309 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -115.79 -58.96 2.05 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.936 1.398 . . . . 0.0 109.22 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.17 131.05 53.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.061 1.476 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.98 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -107.49 152.92 23.58 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.524 ' C ' ' CE2' ' A' ' 34' ' ' PHE . 6.1 m-80 -142.86 105.63 4.51 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.993 1.433 . . . . 0.0 109.264 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.484 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -105.41 10.12 33.45 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.942 1.401 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.59 -31.52 41.82 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.03 1.456 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -130.39 -19.66 3.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.988 1.43 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.06 64.88 1.34 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.9 m-85 -145.41 35.13 1.07 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.09 . . . . 0.0 109.28 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 34' ' ' PHE . . . -33.57 130.05 0.39 Allowed Glycine 0 C--N 1.344 1.015 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.62 110.45 21.6 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.046 1.086 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.584 HG13 ' CG1' ' A' ' 32' ' ' VAL . 1.2 mt -100.7 163.42 3.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.032 1.458 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -128.04 112.52 20.16 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.92 1.388 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -175.55 2.39 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.523 2.815 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -94.94 -39.5 10.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.466 . . . . 0.0 109.254 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -165.04 -1.88 0.03 OUTLIER 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.068 1.48 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.52 76.75 2.2 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.85 -164.15 0.04 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.096 . . . . 0.0 109.323 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.95 -169.9 1.62 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.032 1.457 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.27 128.8 4.8 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.007 1.442 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -119.04 141.17 40.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.422 . . . . 0.0 109.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 17.4 p90 -89.98 151.85 21.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.584 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -153.17 145.71 14.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.935 1.397 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.437 ' C ' ' H ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -80.62 132.26 35.6 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.024 1.453 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.98 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 19.0 m-30 -71.54 44.8 0.1 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.044 1.465 . . . . 0.0 109.233 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 33' ' ' HIS . 2.0 t -108.29 -2.55 19.16 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.075 1.484 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 24.11 3.94 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.96 1.413 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 60.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.914 1.383 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -42.68 97.72 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.436 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 162.16 102.0 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.981 1.425 . . . . 0.0 109.262 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -86.84 122.89 31.34 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.063 1.477 . . . . 0.0 109.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.89 -142.56 7.46 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -58.32 120.28 8.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.965 1.038 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -68.62 72.44 0.22 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.995 1.434 . . . . 0.0 109.362 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -170.1 129.09 0.9 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -167.5 1.64 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.044 1.465 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.566 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 3.0 m-20 58.6 -176.44 0.08 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.988 1.43 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 29.6 tt0 89.48 29.28 0.02 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.82 73.67 1.27 Allowed Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.179 -1.569 . . . . 0.0 109.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HG3' ' CG1' ' A' ' 51' ' ' VAL . 1.4 tp-100 -148.54 124.54 10.68 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.998 1.058 . . . . 0.0 109.389 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -81.77 114.52 20.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.957 1.411 . . . . 0.0 109.306 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.426 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 2.7 m -120.74 -168.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.886 1.366 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.15 140.88 25.7 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.024 1.453 . . . . 0.0 109.371 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -134.34 -157.21 0.79 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.005 1.441 . . . . 0.0 109.414 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.6 t -143.28 27.69 1.56 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.054 1.471 . . . . 0.0 109.385 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.524 ' CG2' ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER 52.42 169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.932 1.395 . . . . 0.0 109.21 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.1 mm-40 -145.26 -139.57 0.1 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.89 1.369 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 80.29 104.4 0.07 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.002 1.438 . . . . 0.0 109.204 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.02 -34.07 1.42 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.82 -41.17 3.62 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.994 1.055 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' HG2' ' H ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -179.2 -58.42 0.01 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.085 1.49 . . . . 0.0 109.348 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.457 ' H ' ' HG2' ' A' ' 60' ' ' LYS . . . -52.63 112.04 1.92 Allowed Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.488 ' O ' ' CZ ' ' A' ' 31' ' ' PHE . 18.6 Cg_endo -74.87 162.17 37.82 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.568 2.845 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . . . -174.41 -160.31 0.1 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.284 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -145.02 147.91 33.14 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.919 1.387 . . . . 0.0 109.357 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.605 ' O ' HG22 ' A' ' 54' ' ' THR . . . -126.69 160.78 21.04 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.244 -1.543 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 46.86 64.73 1.43 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.056 . . . . 0.0 109.355 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.82 112.98 25.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.374 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.88 136.26 54.13 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.995 1.434 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 p -70.52 127.61 33.31 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.957 1.41 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.975 1.422 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 162.55 15.67 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.015 1.067 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -112.29 136.61 51.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.99 1.431 . . . . 0.0 109.274 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 31.6 p -79.85 161.2 25.75 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.927 1.392 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.515 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 174.46 127.64 1.02 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.559 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -91.49 144.48 9.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.047 1.086 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -104.13 160.34 4.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.066 1.479 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 9.7 mtmt -158.46 -23.3 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.942 1.402 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 10' ' ' LYS . 7.9 m-90 -94.92 25.21 4.26 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.036 1.46 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CZ ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -80.25 136.65 36.5 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.013 1.446 . . . . 0.0 109.357 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.796 HD22 ' CG ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -143.14 115.04 8.25 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 0.0 109.288 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.18 22.66 13.67 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.033 1.458 . . . . 0.0 109.224 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -88.23 -45.15 10.31 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.796 ' CG ' HD22 ' A' ' 13' ' ' ASN . 0.8 OUTLIER -106.6 -30.42 9.03 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 109.53 55.0 0.56 Allowed Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.447 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 23.1 m-85 -169.21 157.46 7.66 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.001 1.059 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.91 -179.23 47.16 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 31' ' ' PHE . 10.0 m-85 -137.47 161.15 37.13 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.084 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.53 ' HB ' ' CG2' ' A' ' 30' ' ' VAL . 2.6 mt -122.08 158.8 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.038 1.461 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.4 113.92 36.63 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.064 1.478 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 104.02 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.506 2.804 . . . . 0.0 110.996 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -48.65 -36.74 16.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -82.32 -35.38 27.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.031 1.457 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.502 ' H ' ' HB2' ' A' ' 23' ' ' PRO . . . -84.08 -135.24 2.87 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.0 p -169.41 -40.8 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.06 . . . . 0.0 109.374 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.24 -169.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -129.68 112.03 13.26 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.988 1.43 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.53 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 27.4 m -78.01 132.09 33.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 125.002 1.438 . . . . 0.0 109.381 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 1.9 p90 -85.9 133.75 33.93 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.02 1.45 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -150.56 166.2 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.01 1.443 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -111.6 128.58 56.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.962 1.414 . . . . 0.0 109.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.453 ' CE1' ' HE3' ' A' ' 43' ' ' LYS . 97.2 m-85 56.38 23.97 7.91 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.079 1.487 . . . . 0.0 109.293 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.465 ' O ' HG21 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 73.01 24.18 2.58 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 37.23 35.43 0.05 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.05 1.469 . . . . 0.0 109.25 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.551 ' CG2' HD13 ' A' ' 45' ' ' LEU . 4.3 pt -53.72 179.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.053 1.47 . . . . 0.0 109.289 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -107.11 41.74 1.42 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.97 151.09 19.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.064 1.477 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.37 117.09 15.79 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.022 1.451 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 63.03 -98.0 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.541 ' C ' ' O ' ' A' ' 41' ' ' GLY . 7.4 m-85 31.1 72.63 0.06 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.053 . . . . 0.0 109.28 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 2.2 mmtm -59.92 91.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.917 1.385 . . . . 0.0 109.229 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.868 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -113.92 -156.14 0.59 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.976 1.423 . . . . 0.0 109.366 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.868 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 32.28 118.15 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.929 1.393 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -84.83 -152.99 0.15 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 3.5 pt-20 -99.33 80.11 2.38 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.65 65.62 0.04 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 19.2 mt-30 -135.77 141.99 44.87 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.091 1.112 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -91.57 121.95 33.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 125.006 1.441 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.37 165.7 20.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -102.69 119.31 38.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.636 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -106.01 -166.7 1.22 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 0.0 109.251 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.8 t -121.76 29.4 7.16 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.472 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.64 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.0 mt 5.31 93.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.425 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.63 170.49 15.72 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.096 1.498 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 p -115.23 139.79 49.65 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.965 1.416 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.39 -88.52 1.25 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -133.2 85.7 2.24 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.97 1.041 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 85.92 -31.68 0.05 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.55 175.27 19.42 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.02 -175.83 2.57 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.569 2.846 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.87 163.84 0.35 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.014 1.446 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -119.58 -149.13 0.43 Allowed 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.971 1.419 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.863 ' O ' ' HB2' ' A' ' 66' ' ' ASN . . . 131.42 94.28 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.863 ' HB2' ' O ' ' A' ' 65' ' ' GLY . 77.0 m-20 102.48 69.89 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.075 1.103 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.636 ' CG1' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -113.22 132.88 60.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 125.097 1.498 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.97 119.98 38.36 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.017 1.448 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -52.14 148.31 6.47 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.079 1.487 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.405 ' HG ' ' HD2' ' A' ' 50' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.992 1.432 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 162.24 17.73 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.003 1.061 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.404 ' SD ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -138.97 144.98 39.19 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -82.25 158.59 23.45 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.433 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.499 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.02 130.03 1.29 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.59 144.96 8.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.051 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.496 HG23 ' CG1' ' A' ' 21' ' ' ILE . 3.5 p -86.37 146.43 6.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.044 1.465 . . . . 0.0 109.433 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mttt -116.94 -37.25 3.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -152.01 146.3 25.47 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.295 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 172.35 154.09 0.08 Allowed 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.928 1.392 . . . . 0.0 109.352 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.768 ' H ' ' CA ' ' A' ' 18' ' ' PHE . 5.6 t-20 78.4 -169.67 0.05 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.934 1.396 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.659 ' C ' ' H ' ' A' ' 16' ' ' LYS . . . 44.35 18.61 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' N ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER 63.61 -14.95 0.07 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.976 1.423 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.659 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -50.92 -22.91 2.48 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.946 1.404 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' PHE . . . -174.89 -14.81 0.02 OUTLIER Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.768 ' CA ' ' H ' ' A' ' 13' ' ' ASN . 5.5 m-85 63.8 -78.68 0.03 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.025 1.074 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.486 ' CA ' HG13 ' A' ' 32' ' ' VAL . . . -124.22 113.55 2.06 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -151.38 108.84 3.61 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.07 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CG1' HG23 ' A' ' 9' ' ' VAL . 11.5 mt -124.39 159.92 29.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.427 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -130.02 139.78 36.66 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.032 1.458 . . . . 0.0 109.253 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.3 Cg_endo -75.06 -177.6 3.6 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.471 2.781 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -41.42 -34.62 0.56 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 0.0 109.396 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 26' ' ' GLY . 2.4 p-10 173.82 -110.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . 62.95 -79.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.081 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.4 OUTLIER 159.53 170.67 0.01 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.041 1.083 . . . . 0.0 109.429 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 65.76 -175.11 0.18 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.968 1.417 . . . . 0.0 109.313 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -160.04 129.56 5.21 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.0 1.437 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 30' ' ' VAL . 1.9 m -71.86 119.77 18.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.117 1.511 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -85.62 162.43 18.84 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.441 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -160.51 170.02 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.44 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.56 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.9 t60 -142.24 145.48 34.12 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.011 1.444 . . . . 0.0 109.398 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.545 ' O ' ' CB ' ' A' ' 35' ' ' SER . 7.4 m-85 -42.44 158.7 0.03 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.934 1.396 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.3 t 94.95 -14.32 0.1 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.42 14.95 7.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.685 HG12 ' H ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.94 179.66 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.685 ' H ' HG12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -118.39 99.36 6.79 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 178.02 159.13 0.48 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.985 1.428 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -143.57 122.26 12.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.034 1.459 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 85.6 143.81 7.04 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 31.11 62.74 0.22 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.952 1.03 . . . . 0.0 109.246 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HG3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.51 105.28 4.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.952 1.408 . . . . 0.0 109.332 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -170.25 129.35 0.89 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.0 1.438 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 8.0 tp -101.56 173.81 6.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.78 124.18 48.43 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.017 1.448 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.6 107.5 0.22 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.911 1.382 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 85.57 1.88 Allowed Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 50' ' ' LYS . 38.2 tt0 -160.81 162.42 32.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.087 1.11 . . . . 0.0 109.244 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -91.38 118.71 30.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.985 1.428 . . . . 0.0 109.223 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 69' ' ' SER . 4.4 m -127.64 -161.57 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.953 1.408 . . . . 0.0 109.358 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.524 ' HB2' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -144.77 176.82 9.16 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.046 1.466 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.499 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -168.76 -156.6 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.985 1.428 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.4 t -152.48 29.61 0.54 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.013 1.445 . . . . 0.0 109.255 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' THR . 5.5 mt 31.07 90.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.519 ' HG2' ' H ' ' A' ' 65' ' ' GLY . 1.7 mm-40 -65.81 -139.01 0.0 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.976 1.422 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.544 ' CA ' ' HA ' ' A' ' 62' ' ' PRO . 1.3 p 80.94 120.53 0.05 OUTLIER 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.977 1.423 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.43 ' H ' ' H ' ' A' ' 59' ' ' ALA . . . -161.26 -19.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -122.96 27.09 7.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.989 1.052 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 90.8 -19.03 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.03 1.456 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.29 106.44 2.76 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HA ' ' CA ' ' A' ' 57' ' ' SER . 18.1 Cg_endo -75.05 175.18 11.58 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.562 2.841 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 56' ' ' GLU . . . 177.36 -161.53 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 O-C-N 124.947 1.405 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.564 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -138.71 102.02 4.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' C ' ' A' ' 66' ' ' ASN . . . -97.27 -177.28 34.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 125.13 1.519 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.525 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.6 m-20 25.69 57.97 0.06 Allowed 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.966 1.039 . . . . 0.0 109.259 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -85.03 168.23 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.529 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -167.19 129.76 1.71 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.048 1.468 . . . . 0.0 109.34 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.506 ' CB ' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.87 130.77 35.22 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 C--N 1.345 0.386 0 O-C-N 125.044 1.465 . . . . 0.0 109.335 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -87.37 -169.9 2.81 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.97 1.041 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.437 ' CG ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -122.03 143.97 49.18 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.024 1.452 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.9 p -83.5 139.55 32.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.993 1.433 . . . . 0.0 109.245 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.507 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . -172.6 113.81 0.49 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.623 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -73.58 138.83 20.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.065 . . . . 0.0 109.353 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -94.24 145.3 8.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.05 1.469 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -92.18 -48.39 6.73 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.997 1.435 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.583 ' CZ3' ' CG ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -122.63 164.61 17.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.415 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -174.36 117.06 0.21 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.986 1.429 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -146.06 138.98 25.73 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.961 1.413 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.523 ' CB ' ' CE1' ' A' ' 34' ' ' PHE . . . -107.84 33.36 4.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.076 1.485 . . . . 0.0 109.429 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -56.33 1.05 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.924 1.39 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.686 ' CD ' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.49 -60.89 3.13 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.017 1.448 . . . . 0.0 109.349 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 166.03 62.81 0.03 OUTLIER Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 33' ' ' HIS . 0.3 OUTLIER 72.15 -159.69 0.11 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.093 1.114 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.93 -177.87 24.35 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CG ' ' CZ3' ' A' ' 11' ' ' TRP . 4.5 m-85 -115.46 140.63 48.97 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.968 1.04 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.564 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.8 mt -98.48 164.39 2.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.471 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -125.88 90.35 50.55 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.039 1.462 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 141.64 27.25 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.833 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.1 p-10 -58.87 -92.64 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.025 1.453 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.444 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.4 m-20 39.24 -101.73 0.03 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.08 1.488 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -139.45 38.32 1.65 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.5 p 91.19 -159.94 0.01 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.031 1.077 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' SER . 1.1 tttt 95.46 -176.06 0.01 OUTLIER 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.0 1.438 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 1.2 p30 -160.1 156.68 27.23 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.94 1.4 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -131.75 152.03 36.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.002 1.439 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.13 128.01 36.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.211 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -160.64 158.8 2.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -109.3 -156.52 0.59 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.952 1.407 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 14' ' ' ALA . 1.4 p90 -117.7 23.49 11.68 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 1.6 t -98.97 -17.26 18.41 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.96 1.413 . . . . 0.0 109.282 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.32 14.46 22.3 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.97 1.419 . . . . 0.0 109.234 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.437 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 2.7 pp -72.32 -179.73 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.038 1.461 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 37' ' ' ILE . 13.5 mp0 -129.38 81.62 2.03 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -169.5 154.21 5.52 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -126.93 91.58 3.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.472 . . . . 0.0 109.371 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.24 -104.26 0.27 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 44' ' ' SER . 7.2 t80 -67.61 84.82 0.19 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.123 1.131 . . . . 0.0 109.281 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 84.53 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.443 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 27.1 m -170.12 148.7 3.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.908 1.38 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.2 mt -114.46 -162.48 0.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.003 1.439 . . . . 0.0 109.364 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.36 130.57 40.89 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.061 1.476 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 119.06 8.52 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.083 1.489 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.69 67.76 1.38 Allowed Glycine 0 C--N 1.347 1.164 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.623 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -152.1 138.23 18.28 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.071 . . . . 0.0 109.206 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' CB ' HG22 ' A' ' 8' ' ' ILE . 15.1 tttp -68.89 126.1 28.71 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.98 1.425 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 1.7 m -124.61 140.72 46.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.8 p -85.23 67.65 10.23 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.753 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 9.5 p90 -73.6 -163.96 0.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 66' ' ' ASN . 2.3 t -158.37 72.3 0.61 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.969 1.418 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.534 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -24.4 126.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.94 1.4 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -141.16 -170.6 3.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.058 1.474 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.15 140.1 18.25 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.97 1.419 . . . . 0.0 109.377 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.65 40.4 2.11 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.321 -1.511 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 43.63 44.14 5.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.947 1.028 . . . . 0.0 109.231 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 61.88 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.045 1.466 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.18 155.32 31.88 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.03 109.42 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.498 2.799 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . . . -102.6 176.03 5.3 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.044 1.465 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -150.7 103.69 3.12 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.421 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.84 54.23 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.753 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 4.8 m120 61.59 113.97 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.982 1.048 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.423 ' CG1' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -125.86 7.38 4.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.997 1.436 . . . . 0.0 109.298 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 51' ' ' VAL . 6.1 t -67.16 167.86 11.34 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.945 1.403 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.65 159.61 15.74 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.943 1.402 . . . . 0.0 109.367 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.959 1.412 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 160.83 26.66 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.964 1.037 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.514 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -127.13 151.06 49.15 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.969 1.418 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -92.19 154.99 18.31 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.016 1.447 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.23 128.64 1.64 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.507 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -90.09 155.81 3.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 O-C-N 124.997 1.057 . . . . 0.0 109.305 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.45 HG11 HD12 ' A' ' 45' ' ' LEU . 14.9 p -107.39 151.91 9.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -140.13 -14.11 1.03 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.077 1.486 . . . . 0.0 109.352 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.474 ' HB2' ' H ' ' A' ' 20' ' ' PHE . 2.1 m95 -98.54 -128.41 0.18 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.521 ' HA ' ' CA ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 75.98 116.35 0.06 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.867 1.354 . . . . 0.0 109.345 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.923 HD22 ' CB ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -138.25 137.09 37.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.027 1.454 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.72 8.13 34.96 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.968 1.417 . . . . 0.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.923 ' CB ' HD22 ' A' ' 13' ' ' ASN . 5.4 t0 -86.23 -64.8 1.09 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.047 1.467 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HD2' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -79.32 -24.18 42.98 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 125.004 1.44 . . . . 0.0 109.187 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.471 ' C ' ' CE1' ' A' ' 33' ' ' HIS . . . 90.84 69.74 1.2 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -175.06 163.98 3.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.013 1.067 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.521 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -154.72 170.69 33.06 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' H ' ' HB2' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -150.29 128.39 11.93 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.901 1.0 . . . . 0.0 109.288 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.55 ' CG1' HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -90.59 167.24 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.028 1.455 . . . . 0.0 109.23 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.51 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.23 96.52 12.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 18.6 Cg_endo -74.9 123.97 8.33 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.542 2.828 . . . . 0.0 111.07 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -67.91 0.24 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.931 1.394 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -60.15 -32.85 71.42 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.901 1.375 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.84 73.06 1.6 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.251 -1.539 . . . . 0.0 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.21 -31.98 0.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.092 1.113 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -169.51 0.01 OUTLIER 'General case' 0 C--O 1.238 0.497 0 O-C-N 125.019 1.45 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.99 141.81 40.44 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.069 1.481 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -116.71 147.42 20.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CZ ' ' CA ' ' A' ' 63' ' ' ALA . 5.7 p90 -74.08 144.91 44.8 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.912 1.382 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -154.8 169.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.951 1.407 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.572 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -136.63 155.32 50.07 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.055 1.472 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 37' ' ' ILE . 54.4 p90 -48.96 -18.25 0.27 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.119 1.512 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' HIS . 46.9 t -88.63 41.83 1.04 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.029 1.456 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.657 ' O ' ' O ' ' A' ' 67' ' ' VAL . . . -140.82 -29.78 0.66 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.047 1.467 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.43 15.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.636 ' H ' ' C ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -46.85 100.98 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.424 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.542 ' CG ' ' H ' ' A' ' 40' ' ' ASP . 62.6 t30 -123.91 -168.59 1.81 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.943 1.402 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.542 ' H ' ' CG ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -43.83 -42.24 5.53 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.91 1.381 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.01 -35.23 0.02 OUTLIER Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -46.36 120.84 3.04 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.0 1.059 . . . . 0.0 109.356 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.48 141.43 46.24 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.954 1.409 . . . . 0.0 109.311 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.403 ' CA ' HG21 ' A' ' 37' ' ' ILE . 0.7 OUTLIER 80.57 133.64 0.06 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.019 1.449 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -64.62 165.44 10.19 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.884 1.365 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.5 t0 -114.38 24.1 12.21 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.987 1.429 . . . . 0.0 109.213 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 14.0 pt-20 34.95 49.16 0.38 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.946 1.404 . . . . 0.0 109.388 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.68 83.95 0.05 OUTLIER Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HG3' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -174.39 142.36 0.77 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.968 1.04 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' CG ' HG22 ' A' ' 8' ' ' ILE . 1.3 ttpp -78.76 132.77 37.05 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.995 1.434 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.6 ' CG1' ' HA ' ' A' ' 69' ' ' SER . 1.6 m -150.26 162.21 3.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.47 162.82 25.21 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 23' ' ' PRO . 0.8 OUTLIER -159.31 145.49 16.42 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 125.008 1.443 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' ILE . 1.4 p -137.48 49.76 1.98 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -30.63 137.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 125.072 1.483 . . . . 0.0 109.3 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -112.36 153.37 27.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.883 1.364 . . . . 0.0 109.226 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 p -93.22 134.58 35.27 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 0.0 109.173 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.737 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . -177.23 66.17 0.09 OUTLIER Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.737 ' CB ' ' O ' ' A' ' 58' ' ' GLY . . . 114.97 -165.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.068 . . . . 0.0 109.236 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -93.6 36.75 1.07 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.949 1.405 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.36 109.59 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.484 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.06 109.61 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.464 2.776 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.584 ' CA ' ' CZ ' ' A' ' 31' ' ' PHE . . . -91.04 144.86 25.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.04 1.462 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.12 119.11 14.78 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.039 1.462 . . . . 0.0 109.365 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.88 130.98 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 55.41 100.82 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.988 1.052 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.657 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -133.93 99.1 2.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 125.045 1.466 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.36 119.41 37.9 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.071 1.482 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.6 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 21.0 p -55.67 134.91 51.53 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.502 ' H ' HG12 ' A' ' 51' ' ' VAL . 95.8 mt . . . . . 0 C--N 1.344 0.346 0 O-C-N 125.009 1.443 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.57 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.06 40.85 3.06 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.2 161.02 29.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.048 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.58 138.64 39.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.034 1.459 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -94.16 157.98 15.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.064 1.478 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.96 -159.44 18.3 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -148.16 138.2 16.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.993 1.055 . . . . 0.0 109.304 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.78 135.81 24.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.97 1.419 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.35 -61.06 1.42 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -125.77 156.91 38.71 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.066 1.479 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.443 ' HA ' ' CA ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.5 127.88 1.17 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.56 134.64 51.68 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.959 1.412 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.45 -13.34 16.66 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -37.48 66.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.018 1.449 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -38.5 10.83 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 100.33 50.63 1.3 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 23.0 m-85 -165.47 159.32 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.973 1.043 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -159.16 -178.89 33.58 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -133.61 125.9 29.76 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.068 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG1' HG11 ' A' ' 32' ' ' VAL . 1.2 mt -103.74 164.88 3.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -133.15 97.68 16.29 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.013 1.446 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.83 17.02 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.473 2.782 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -70.06 0.09 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.001 1.438 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.76 -34.23 69.34 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.008 1.442 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.24 69.08 1.85 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -32.64 0.22 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.995 1.056 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -57.84 -173.88 0.01 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.022 1.451 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.79 132.45 43.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.016 1.448 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 55' ' ' ILE . 24.5 m -118.21 156.09 20.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.995 1.434 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.06 155.26 19.19 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.966 1.416 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG11 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -140.58 162.11 23.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.018 1.449 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.422 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -132.07 167.32 19.93 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.028 1.455 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -98.9 41.18 1.15 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -123.49 20.25 9.57 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.98 1.425 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -170.46 37.53 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.433 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.603 ' CG1' ' H ' ' A' ' 38' ' ' GLN . 10.0 tt -88.55 -179.14 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.603 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 17.2 mp0 -139.71 75.57 1.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.931 1.395 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -146.56 42.86 1.18 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.956 1.41 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 58.89 -92.3 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -142.26 -141.89 3.97 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.5 t80 31.16 72.74 0.06 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.082 1.107 . . . . 0.0 109.287 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 18.0 mmtp -50.2 120.8 4.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.965 1.415 . . . . 0.0 109.326 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.99 133.73 1.21 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.45 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -137.39 159.02 43.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.96 160.79 14.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 11.1 pt-20 -92.26 120.91 33.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.99 1.431 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.11 41.01 9.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -106.2 148.34 28.02 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.048 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -79.54 119.36 22.41 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.018 1.449 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.23 159.03 29.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.42 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -113.34 171.96 7.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.029 1.455 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE1' HG21 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -169.85 -161.45 0.28 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.985 1.428 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.4 t -154.24 29.58 0.45 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.038 1.461 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.506 ' CD1' HG11 ' A' ' 30' ' ' VAL . 1.1 mm 34.35 83.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.015 1.447 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.58 161.76 24.6 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.984 1.428 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -119.01 139.35 51.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.452 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.25 -38.2 0.02 OUTLIER Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.42 -77.43 0.6 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.039 1.082 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -86.61 0.4 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -131.46 -73.71 0.11 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.443 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 18.5 Cg_endo -74.95 145.79 32.06 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . . . 175.49 101.26 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 38.33 -143.02 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.984 1.428 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.663 ' O ' HG22 ' A' ' 54' ' ' THR . . . 120.43 83.49 0.77 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 56.94 64.18 1.72 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.047 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -81.65 104.39 10.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.043 1.465 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -121.53 148.04 45.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.978 1.423 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -85.89 142.01 29.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.945 1.403 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.372 0 O-C-N 124.981 1.426 . . . . 0.0 109.314 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.241 0.631 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.14 -116.92 3.29 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.93 177.79 5.33 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.051 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.39 148.35 7.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.987 1.429 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -85.12 146.74 26.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.941 1.401 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -173.74 129.49 1.66 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.441 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -97.74 140.43 17.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.075 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.574 ' CG1' ' HA ' ' A' ' 46' ' ' ASP . 1.7 p -78.47 155.01 5.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.404 . . . . 0.0 109.225 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -110.96 -63.74 1.36 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.094 1.496 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.87 166.16 25.7 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.002 1.439 . . . . 0.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -158.64 156.59 30.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 0.0 109.252 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 16' ' ' LYS . 4.0 p30 -131.12 131.82 44.39 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.006 1.441 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.76 -0.08 25.7 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.939 1.399 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -55.08 5.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.078 1.486 . . . . 0.0 109.381 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' CG ' ' OD1' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -81.4 -35.07 31.19 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.935 1.397 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 18' ' ' PHE . . . 101.54 60.08 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 17' ' ' GLY . 64.6 m-85 -158.33 153.38 25.36 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.051 1.089 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.31 170.8 20.79 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 29' ' ' ASP . 10.9 t80 -143.11 114.48 7.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.981 1.047 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.589 ' CD1' HG11 ' A' ' 67' ' ' VAL . 4.7 mt -107.94 168.81 3.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.976 1.423 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.544 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -139.72 108.93 7.17 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.999 1.437 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.537 2.825 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -106.61 -53.18 2.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.078 1.486 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -104.53 -10.59 17.52 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.959 1.412 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.43 -128.87 0.03 OUTLIER Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.4 p -116.76 -108.49 0.37 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.036 1.08 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -178.66 3.62 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.026 1.454 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -58.4 122.88 14.37 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.92 1.387 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.58 128.94 54.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 O-C-N 125.022 1.451 . . . . 0.0 109.266 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -73.83 157.89 35.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 0.0 109.345 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG23 ' H ' ' A' ' 34' ' ' PHE . 2.0 m -119.77 160.05 20.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.77 42.88 2.12 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.043 1.464 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' H ' HG23 ' A' ' 32' ' ' VAL . 1.7 m-30 46.18 -164.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.95 1.406 . . . . 0.0 109.264 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t 71.81 -26.59 0.18 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.964 1.415 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -138.43 52.84 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -133.34 60.84 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 125.032 1.457 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.432 ' HG2' ' HB ' ' A' ' 68' ' ' THR . 4.7 mm100 -36.3 100.23 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.942 1.401 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -109.97 -148.28 0.43 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.022 1.451 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.55 -62.5 1.52 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.96 1.412 . . . . 0.0 109.261 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.71 -72.37 0.02 OUTLIER Glycine 0 C--N 1.344 1.002 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.43 119.93 13.7 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.977 1.046 . . . . 0.0 109.315 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -50.38 97.92 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.972 1.42 . . . . 0.0 109.197 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.32 109.01 0.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.969 1.418 . . . . 0.0 109.255 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' HG ' ' H ' ' A' ' 46' ' ' ASP . 10.4 tp -143.14 -139.71 0.11 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.275 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.574 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 6.9 p-10 41.98 -155.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.981 1.425 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 70.6 25.44 4.17 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.007 1.442 . . . . 0.0 109.25 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 49' ' ' GLN . . . 94.82 93.88 1.67 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . 73.3 mt-30 -158.85 141.82 14.54 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.043 1.084 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -89.14 117.62 28.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.027 1.454 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -128.74 176.0 9.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.009 1.443 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 p -132.67 142.85 49.28 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.925 1.39 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CE2' HG21 ' A' ' 21' ' ' ILE . 6.9 p90 -153.49 -159.6 1.01 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.04 1.463 . . . . 0.0 109.181 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 54' ' ' THR . 2.4 t -151.61 29.27 0.61 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.981 1.426 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt 36.95 86.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 125.049 1.468 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.538 ' HB2' ' CA ' ' A' ' 65' ' ' GLY . 3.0 mt-10 -82.19 178.41 8.28 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.962 1.414 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 t -149.69 123.88 9.5 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.051 1.469 . . . . 0.0 109.298 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.96 55.36 0.01 OUTLIER Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.48 -161.45 0.59 Allowed 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.044 1.085 . . . . 0.0 109.314 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -37.34 17.05 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.039 1.462 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.26 -151.68 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.98 3.03 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.454 2.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -113.58 164.91 13.05 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 139.22 38.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.897 1.373 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -109.85 141.21 16.09 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 52.1 50.49 18.37 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.97 1.041 . . . . 0.0 109.423 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -79.66 112.65 17.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.037 1.461 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -122.43 123.1 40.54 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.896 1.372 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -58.85 146.39 37.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.031 1.457 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.346 0.423 0 O-C-N 125.014 1.446 . . . . 0.0 109.24 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.239 0.539 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.77 -39.91 85.53 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.603 ' HZ2' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.15 160.92 19.83 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.37 152.63 41.82 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.069 1.481 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -81.31 171.64 14.56 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.912 1.383 . . . . 0.0 109.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.82 130.73 1.31 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.344 -1.503 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.544 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -103.6 143.9 14.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.941 1.024 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.26 148.4 6.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.014 1.446 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -113.64 -38.84 4.19 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.016 1.448 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -134.21 135.52 43.04 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.041 1.463 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.506 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.67 141.76 27.18 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.077 1.486 . . . . 0.0 109.226 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -123.87 124.02 41.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 0.0 109.344 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.471 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -108.69 23.0 15.17 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.921 1.388 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.618 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -94.83 -45.66 7.22 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' H ' HD21 ' A' ' 13' ' ' ASN . 2.2 pttm -104.22 -34.39 8.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.063 1.477 . . . . 0.0 109.203 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 112.8 64.57 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 43.8 m-85 -167.32 154.58 8.74 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.921 1.012 . . . . 0.0 109.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.02 140.75 6.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.454 ' CE2' ' CE1' ' A' ' 31' ' ' PHE . 1.3 m-85 -89.45 121.19 31.45 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.904 1.003 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.3 mt -110.25 161.86 8.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.411 ' N ' HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -134.78 108.02 10.76 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 18.1 Cg_endo -74.96 141.08 26.32 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.503 2.802 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -51.8 -91.52 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.899 1.374 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 33.4 t70 -57.98 -12.3 3.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 23' ' ' PRO . . . -89.73 84.9 1.38 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -52.28 144.27 13.12 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.075 1.103 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER 92.74 -169.82 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' LYS . 5.2 p-10 -132.84 114.15 13.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.67 140.66 15.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.97 155.34 38.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.097 1.498 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' CB ' ' HB2' ' A' ' 64' ' ' ALA . 1.2 m -150.07 175.09 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.08 1.488 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -144.58 155.22 43.54 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.979 1.424 . . . . 0.0 109.226 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -63.36 -156.44 0.01 OUTLIER 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.073 1.483 . . . . 0.0 109.402 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 73.61 -48.46 0.67 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.092 1.495 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.21 4.52 6.84 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.92 1.387 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.729 ' CD1' ' H ' ' A' ' 43' ' ' LYS . 1.1 pt -72.28 60.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' NE2' ' OD1' ' A' ' 66' ' ' ASN . 2.8 mt-30 -67.19 95.39 0.41 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.052 1.47 . . . . 0.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.448 ' CB ' ' HE2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 175.73 121.7 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 0.0 109.281 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t0 58.3 -91.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.933 1.396 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 171.73 153.76 9.38 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 t80 31.18 50.04 0.11 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.94 1.023 . . . . 0.0 109.379 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.729 ' H ' ' CD1' ' A' ' 37' ' ' ILE . 26.9 ttpp -64.45 136.65 57.29 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.424 . . . . 0.0 109.219 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -101.94 129.96 48.33 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.915 1.384 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 5.0 mt -86.77 153.88 21.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.965 1.416 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -137.86 159.01 43.15 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.004 1.44 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -76.68 100.37 5.37 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.008 1.442 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.42 54.22 0.45 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.06 143.59 49.42 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.043 1.084 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -101.22 103.18 14.2 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.916 1.385 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -113.29 -169.53 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.985 1.428 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.66 158.7 44.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.52 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -162.85 -157.8 0.46 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.989 1.431 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.619 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.3 t -121.44 29.65 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.985 1.428 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.619 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.8 mt 13.06 86.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.916 1.385 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 55' ' ' ILE . 1.9 mt-10 -177.34 133.96 0.18 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.881 1.363 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -97.13 29.99 2.93 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.462 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.28 -49.48 2.15 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 176.75 -39.2 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.045 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.96 -44.42 7.19 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.041 1.463 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.46 -164.58 32.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 156.09 42.79 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.54 2.827 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.03 -159.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 32' ' ' VAL . . . -74.52 -146.07 0.02 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.964 1.415 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' HG22 ' A' ' 54' ' ' THR . . . 133.44 98.07 0.64 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' OD1' ' NE2' ' A' ' 38' ' ' GLN . 70.0 m-20 60.13 62.36 1.64 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.95 1.029 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.65 101.01 5.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.049 1.468 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.99 139.43 50.69 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.952 1.408 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -45.3 160.93 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.033 1.458 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.411 0 O-C-N 125.028 1.455 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.57 -49.19 0.59 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.55 160.85 13.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.027 1.075 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.507 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -120.47 140.04 51.99 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.437 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -71.88 167.29 20.34 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.941 1.4 . . . . 0.0 109.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.89 104.98 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.514 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -88.41 142.07 13.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.083 1.108 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 1.2 p -89.3 125.94 42.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.4 mttm -100.15 -41.59 7.06 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.08 1.487 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.445 ' CE3' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -131.57 159.37 38.41 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.43 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -173.71 119.71 0.29 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.862 1.351 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.694 HD21 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -90.76 125.73 35.79 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.902 1.376 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -105.3 28.46 7.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.011 1.444 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.99 -47.61 4.51 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.694 ' H ' HD21 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -98.72 -24.09 15.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.076 1.485 . . . . 0.0 109.365 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 103.17 43.9 1.82 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -118.3 160.09 22.24 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.064 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' HA3' ' CG2' ' A' ' 32' ' ' VAL . . . -145.48 141.4 9.78 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -117.56 109.61 16.91 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.9 1.0 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CD1' HG11 ' A' ' 32' ' ' VAL . 4.1 mt -102.66 150.33 6.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.06 1.475 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.522 HG22 ' HD2' ' A' ' 23' ' ' PRO . 1.9 m -114.66 140.7 25.66 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.916 1.385 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 22' ' ' THR . 18.1 Cg_endo -75.08 -165.07 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.528 2.819 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.708 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -67.24 0.51 2.73 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.06 1.475 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.708 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 31.3 t70 120.52 0.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.406 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -49.04 -17.14 0.84 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.8 t 98.77 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.977 1.045 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -48.93 151.97 1.14 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.39 115.99 21.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.425 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.511 ' HB ' ' H ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -101.95 132.73 47.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 p90 -90.19 163.5 14.78 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.959 1.412 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 21' ' ' ILE . 6.1 m -148.79 161.14 5.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.031 1.457 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -134.91 144.99 47.8 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 0.0 109.266 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.438 ' C ' ' H ' ' A' ' 36' ' ' ALA . 3.6 m-85 -42.95 -29.03 0.3 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.872 1.357 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -72.34 44.82 0.12 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.096 1.498 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' O ' ' CG2' ' A' ' 67' ' ' VAL . . . 174.45 74.48 0.0 OUTLIER 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.016 1.447 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.99 45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.991 1.432 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.505 ' HG2' ' HA ' ' A' ' 68' ' ' THR . 20.0 mm-40 37.73 37.25 0.11 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.964 1.415 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER 46.46 -163.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.432 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 2.6 t0 157.6 -47.55 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.971 1.419 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.24 -59.65 0.52 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -96.57 104.93 16.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.066 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -67.37 100.78 0.86 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.98 1.425 . . . . 0.0 109.323 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.48 136.68 7.52 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.468 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.25 165.18 29.12 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.922 1.389 . . . . 0.0 109.341 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.408 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 4.6 m-20 -114.45 150.37 34.87 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 11.1 pt-20 -79.44 73.56 6.08 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.938 1.399 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 152.32 63.79 0.01 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' NE2' ' OD1' ' A' ' 46' ' ' ASP . 28.2 mt-30 -133.82 152.6 51.92 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.888 0.993 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.514 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -95.96 124.18 39.87 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.951 1.407 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' THR . 1.7 m -129.08 162.71 35.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.25 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB3' HG23 ' A' ' 68' ' ' THR . 1.2 t -116.98 126.33 52.75 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.027 1.455 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 5' ' ' MET . 2.8 p90 -116.33 -175.73 2.81 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.063 1.477 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.6 t -135.31 29.5 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.908 1.38 . . . . 0.0 109.248 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mt 40.07 86.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.032 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 1.5 mt-10 -102.38 166.22 10.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.077 1.486 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -104.71 139.28 39.76 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 124.933 1.396 . . . . 0.0 109.364 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.25 -110.21 2.06 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.25 -70.11 0.64 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.987 1.051 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -43.87 -42.26 5.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.985 1.428 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.54 -93.81 0.1 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 171.51 18.18 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.408 2.738 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . . . 175.93 86.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.201 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.511 ' H ' ' HB ' ' A' ' 30' ' ' VAL . . . -50.1 131.51 23.33 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 54' ' ' THR . . . -112.38 153.15 17.59 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 48.79 63.2 2.21 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.015 1.067 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.529 ' O ' HG23 ' A' ' 67' ' ' VAL . 30.9 m -86.75 103.63 13.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.019 1.449 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 52' ' ' SER . 0.1 OUTLIER -91.94 125.78 36.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 p -86.32 126.53 34.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.411 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.406 0 O-C-N 125.008 1.443 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.57 0 CA-C-O 118.483 -0.77 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.32 -53.62 0.27 Allowed Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -99.93 158.62 15.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.087 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.506 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 3.8 ptp -156.92 164.69 37.77 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.061 1.476 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -78.29 172.66 13.26 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . 162.26 127.93 0.91 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.46 141.28 15.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.029 1.076 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.518 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 2.6 p -98.9 135.45 33.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.441 . . . . 0.0 109.217 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' CE ' ' HA2' ' A' ' 48' ' ' GLY . 9.7 mttt -151.17 13.6 0.68 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' HB2' ' CB ' ' A' ' 20' ' ' PHE . 1.2 m-90 -143.18 29.14 1.48 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.52 ' HA ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.18 117.59 23.02 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.063 1.477 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -126.49 89.05 2.94 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.026 1.454 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.96 20.3 0.37 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.879 1.362 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -105.97 -65.11 1.09 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.107 1.504 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' CD ' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.02 -42.12 98.83 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.467 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 121.34 52.7 0.23 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 16.5 m-85 -170.76 168.55 7.3 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.12 1.129 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 12' ' ' PHE . . . -170.36 110.18 0.36 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -91.34 152.4 20.46 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.019 1.07 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.538 HD11 ' CG1' ' A' ' 67' ' ' VAL . 34.1 mt -132.67 161.63 41.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.834 1.334 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -115.45 117.79 40.24 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.979 1.424 . . . . 0.0 109.258 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 -159.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.432 2.754 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -133.27 -5.22 3.01 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -44.4 -84.22 0.01 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.033 1.458 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.45 53.96 0.41 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 76.37 127.06 0.04 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.065 1.097 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm 169.97 -172.03 0.03 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.006 1.441 . . . . 0.0 109.358 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' OD2' ' CE1' ' A' ' 20' ' ' PHE . 6.6 p-10 -153.66 113.6 3.89 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.67 128.85 44.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -78.72 145.65 34.36 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.009 1.443 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG1' ' C ' ' A' ' 31' ' ' PHE . 1.7 m -152.56 162.88 2.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.098 1.499 . . . . 0.0 109.216 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -116.31 138.14 51.57 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.068 1.48 . . . . 0.0 109.268 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' ALA . 6.5 p90 -61.87 -160.94 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.929 1.393 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 17.46 0.33 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' PHE . . . -127.23 10.9 6.9 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.468 . . . . 0.0 109.211 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 9.8 tt -77.92 179.86 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.604 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 4.8 mm100 -91.95 32.21 1.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.007 1.442 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.91 171.61 0.07 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.96 1.413 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.9 t0 179.73 37.41 0.0 OUTLIER 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.984 1.428 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.59 -51.62 1.86 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -124.83 119.15 28.03 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.113 1.125 . . . . 0.0 109.285 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 94.4 0.02 OUTLIER 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.937 1.398 . . . . 0.0 109.247 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -166.54 160.94 15.72 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.937 1.398 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.644 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 2.7 tp -138.7 162.94 33.42 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.036 1.46 . . . . 0.0 109.366 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.0 103.86 13.39 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.943 1.402 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.97 103.53 0.07 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.074 1.484 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.499 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 115.95 51.01 0.42 Allowed Glycine 0 C--N 1.344 1.0 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.536 ' NE2' ' CG1' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -137.19 154.02 50.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.924 1.014 . . . . 0.0 109.243 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.91 126.8 33.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.951 1.407 . . . . 0.0 109.374 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.536 ' CG1' ' NE2' ' A' ' 49' ' ' GLN . 27.2 m -136.1 -162.42 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.15 -176.05 4.66 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.939 1.399 . . . . 0.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 47.8 p90 -170.29 163.92 8.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.7 t -113.94 60.02 0.67 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.087 1.492 . . . . 0.0 109.21 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER -27.84 132.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.014 1.446 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.07 119.89 28.78 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -94.67 127.83 40.92 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.036 1.46 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.05 -32.42 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.0 -152.41 0.51 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.035 1.079 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -112.63 82.89 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 154.65 131.8 1.54 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 117.18 4.79 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.447 2.765 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.46 154.92 12.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.057 1.473 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 54' ' ' THR . . . -174.79 -156.5 0.06 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.967 1.417 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' C ' HG22 ' A' ' 54' ' ' THR . . . -128.05 -142.64 5.5 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' OD1' HG21 ' A' ' 54' ' ' THR . 10.0 m120 56.87 55.76 5.94 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.065 . . . . 0.0 109.399 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -91.69 99.46 9.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.921 1.388 . . . . 0.0 109.293 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 4.1 t -119.34 151.3 38.7 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.934 1.396 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.3 p -86.82 130.99 34.24 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.043 1.464 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.98 1.425 . . . . 0.0 109.322 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.241 0.626 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.77 140.39 15.57 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -108.93 -155.68 0.56 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.953 1.031 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.482 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -88.36 150.93 22.93 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.431 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -77.75 168.99 19.06 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.122 1.514 . . . . 0.0 109.314 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 132.84 1.41 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.66 143.83 12.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.065 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 21' ' ' ILE . 2.4 p -83.73 142.06 13.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -34.49 6.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.025 1.453 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -139.9 133.87 30.82 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 125.046 1.466 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -138.0 118.91 14.24 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 0.0 109.254 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.575 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 66.3 m-20 -138.1 57.06 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.99 1.431 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 34' ' ' PHE . . . -73.22 68.53 1.02 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.915 1.384 . . . . 0.0 109.339 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -168.67 -29.85 0.02 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.056 1.473 . . . . 0.0 109.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -100.77 -60.25 1.56 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.037 1.461 . . . . 0.0 109.263 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.494 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . -151.07 30.03 0.99 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CG ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER 83.23 -163.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.928 1.017 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.39 177.58 19.72 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -132.35 135.97 46.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.058 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 3.2 mt -108.74 158.99 8.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.08 110.22 34.83 Favored Pre-proline 0 C--O 1.241 0.628 0 O-C-N 124.992 1.433 . . . . 0.0 109.211 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 18.1 Cg_endo -75.08 168.26 25.17 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.481 2.787 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -114.53 -45.94 2.99 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.438 . . . . 0.0 109.194 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -96.24 -18.76 19.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 -86.94 0.08 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.05 1.088 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 8.2 mttp -104.38 -172.62 2.14 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.947 1.405 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -90.56 145.02 25.21 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.535 ' CG1' HG23 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -117.64 163.58 14.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 125.004 1.44 . . . . 0.0 109.316 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 3.2 p90 -90.1 152.0 21.34 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.037 1.461 . . . . 0.0 109.355 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -158.29 153.83 5.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.224 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.506 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 5.4 p80 -111.39 177.97 4.49 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 2.7 p90 -69.29 -22.33 63.81 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.997 1.435 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.506 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -77.71 39.06 0.27 Allowed 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.934 1.396 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -169.81 66.93 0.05 Allowed 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.064 1.478 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.586 ' CG2' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -143.64 60.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.962 1.413 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' OE1' ' N ' ' A' ' 38' ' ' GLN . 2.5 mp0 -41.55 99.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.011 1.444 . . . . 0.0 109.374 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 37' ' ' ILE . 42.7 p-10 -165.54 -144.0 0.07 Allowed 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.05 1.469 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-20 -35.17 -79.17 0.01 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.024 1.452 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.78 -38.17 0.24 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.503 ' O ' ' C ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -79.31 48.7 0.91 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.008 1.064 . . . . 0.0 109.266 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.586 ' HA ' ' CG2' ' A' ' 37' ' ' ILE . 0.0 OUTLIER 27.25 -136.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.071 1.482 . . . . 0.0 109.323 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.99 116.07 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD2' HG13 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -102.69 -157.32 0.6 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.082 1.489 . . . . 0.0 109.298 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -150.89 165.39 33.79 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.034 1.459 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -91.87 100.36 13.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.867 1.354 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.23 80.07 1.5 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -151.69 129.31 11.5 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.044 1.085 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.06 133.75 45.43 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.072 1.483 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.6 171.93 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.751 ' O ' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -124.19 126.62 46.44 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.567 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -144.78 -170.44 3.4 Favored 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.015 1.447 . . . . 0.0 109.326 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.81 HG22 ' O ' ' A' ' 65' ' ' GLY . 1.4 t -122.22 95.31 4.6 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.951 1.407 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.56 HG13 ' CE2' ' A' ' 53' ' ' PHE . 3.5 mp -70.95 67.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.058 1.474 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -179.73 127.45 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.0 t 66.67 140.11 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 0.0 109.342 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.534 ' HA3' ' CB ' ' A' ' 63' ' ' ALA . . . 175.88 -40.08 0.11 Allowed Glycine 0 C--N 1.346 1.134 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.77 -78.06 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.047 1.086 . . . . 0.0 109.379 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -63.2 1.4 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.085 1.491 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 62' ' ' PRO . . . -145.83 -96.26 0.19 Allowed Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.47 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.8 Cg_endo -74.93 135.95 19.9 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.532 2.821 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.534 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . . . -158.88 159.47 35.04 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.458 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -107.64 84.15 1.91 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.063 1.477 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.81 ' O ' HG22 ' A' ' 54' ' ' THR . . . -103.56 166.66 16.06 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 61.87 39.98 13.12 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.953 1.031 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.567 ' CG2' ' HB3' ' A' ' 53' ' ' PHE . 1.1 t -69.32 157.86 6.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 0.0 109.356 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -169.93 124.61 0.78 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.444 . . . . 0.0 109.374 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.3 p -66.93 132.44 47.97 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.042 1.464 . . . . 0.0 109.338 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.346 0.432 0 O-C-N 124.924 1.39 . . . . 0.0 109.279 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.03 155.09 9.24 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.71 160.47 14.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.033 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.501 ' HG3' ' CD2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -138.75 155.4 48.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.45 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -89.74 166.73 13.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.977 1.423 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.31 135.52 1.83 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.76 164.72 2.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.063 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.538 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -104.23 129.03 57.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.035 1.459 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -102.9 -38.7 7.27 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -126.49 135.86 51.88 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.441 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.529 ' CD1' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -153.43 151.3 29.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.086 1.491 . . . . 0.0 109.221 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.57 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -160.44 87.53 0.77 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.071 1.482 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.1 59.56 1.39 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.887 1.367 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -167.88 -36.39 0.02 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.944 1.402 . . . . 0.0 109.234 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -93.05 -49.87 5.8 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.884 1.365 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.06 -90.92 0.08 OUTLIER Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -146.26 -172.07 3.86 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.071 . . . . 0.0 109.224 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.507 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -122.11 162.97 15.68 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -124.27 111.29 15.66 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 124.99 1.053 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -84.47 165.17 2.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.906 1.379 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.485 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.61 137.49 23.97 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 125.006 1.441 . . . . 0.0 109.269 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.551 ' CG ' ' H ' ' A' ' 28' ' ' LYS . 18.6 Cg_endo -75.02 -159.89 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.504 2.803 . . . . 0.0 111.013 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.709 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 1.9 p-10 -43.71 -27.57 0.33 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.709 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 27.6 t70 120.28 0.12 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 0.0 109.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.89 46.92 1.04 Allowed Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.63 -81.03 0.21 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.971 1.042 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' H ' ' CG ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER 169.91 139.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.982 1.426 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.76 135.11 49.35 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.966 1.416 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.96 128.11 60.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.052 1.47 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -88.29 144.28 26.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.982 1.426 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 1.1 p -160.17 151.15 5.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.112 1.507 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.546 ' CE1' ' CZ ' ' A' ' 34' ' ' PHE . 9.1 t-160 -79.6 111.1 15.55 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.546 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 9.8 m-85 73.69 -24.24 0.21 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER 85.7 30.65 0.04 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.976 1.422 . . . . 0.0 109.276 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB3' ' H ' ' A' ' 67' ' ' VAL . . . 37.14 54.69 1.27 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.945 1.403 . . . . 0.0 109.35 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.434 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 0.5 OUTLIER -72.09 61.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.871 1.357 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.582 ' H ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -42.79 96.27 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 O-C-N 124.967 1.417 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -166.11 -173.44 2.6 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.926 1.391 . . . . 0.0 109.23 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -105.15 0.0 OUTLIER 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.018 1.449 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -68.64 72.46 0.36 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.532 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.9 p90 31.31 47.94 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.049 . . . . 0.0 109.349 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER 23.99 -136.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 0.0 109.247 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.17 164.36 7.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.997 1.436 . . . . 0.0 109.406 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' A' ' 12' ' ' PHE . 85.6 mt -135.04 142.74 46.43 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.883 1.364 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 p30 -116.71 27.81 8.94 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.95 1.406 . . . . 0.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 42.52 53.4 4.68 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.58 70.53 0.01 OUTLIER Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.538 ' HG3' ' CG1' ' A' ' 9' ' ' VAL . 6.4 pt20 -150.32 143.92 25.2 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.068 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 2.4 tttp -78.72 133.34 37.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.448 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' A' ' 69' ' ' SER . 1.7 m -151.12 -175.44 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.01 1.443 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -130.89 173.69 10.72 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.024 1.452 . . . . 0.0 109.258 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD2' ' HG3' ' A' ' 5' ' ' MET . 0.1 OUTLIER -152.66 175.48 12.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.996 1.435 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.8 t -121.64 29.34 7.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.98 1.425 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt 60.83 160.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.034 1.458 . . . . 0.0 109.237 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -179.17 171.75 1.3 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.881 1.363 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.416 ' HA ' ' H ' ' A' ' 63' ' ' ALA . 1.3 t -152.34 133.4 14.24 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.916 1.385 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.1 -112.58 3.45 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.82 -75.18 0.58 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.994 1.056 . . . . 0.0 109.294 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -98.51 76.04 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.06 1.475 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.66 153.84 9.19 Favored Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 132.27 15.35 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.578 2.852 . . . . 0.0 111.011 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 56' ' ' GLU . . . -95.26 169.36 10.14 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -109.97 172.73 6.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.467 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.748 ' O ' HG22 ' A' ' 54' ' ' THR . . . -165.81 153.07 22.8 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 44.0 53.35 6.42 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.913 1.008 . . . . 0.0 109.24 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 52' ' ' SER . 0.2 OUTLIER -86.17 100.03 8.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.946 1.404 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.25 122.75 32.14 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.958 1.411 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.42 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 96.9 p -74.39 136.88 42.43 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.079 1.487 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.345 0.402 0 O-C-N 125.012 1.445 . . . . 0.0 109.327 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.6 -69.81 0.47 Allowed Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' A' ' 4' ' ' LYS . 8.9 mtmm -108.56 160.09 16.19 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.081 1.106 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.25 170.59 17.56 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.953 1.408 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -63.21 160.45 15.57 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.029 1.455 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 170.33 106.56 0.19 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.538 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -80.76 132.86 30.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.033 1.078 . . . . 0.0 109.335 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 46' ' ' ASP . 2.8 p -75.58 127.91 37.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 O-C-N 124.94 1.4 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 7.8 mttt -75.53 -84.76 0.05 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.915 1.384 . . . . 0.0 109.251 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' C ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -140.89 162.16 36.1 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.992 1.432 . . . . 0.0 109.314 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB3' ' CB ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -134.82 157.45 46.74 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.06 1.475 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.656 HD21 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -158.85 143.11 15.57 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -114.93 46.44 1.42 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.054 1.471 . . . . 0.0 109.22 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HB3' HD21 ' A' ' 13' ' ' ASN . 1.8 t70 -154.78 -64.8 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.256 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.656 ' H ' HD21 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -50.31 -49.89 52.29 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.053 1.471 . . . . 0.0 109.327 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.495 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 148.89 44.23 0.03 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 0.6 OUTLIER 83.88 -164.05 0.01 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.013 1.066 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.96 -159.39 8.92 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -137.6 160.5 39.01 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.027 1.075 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG2' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -113.49 169.35 5.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 125.007 1.442 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.554 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.92 113.45 7.67 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 125.046 1.466 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.77 6.83 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.583 2.855 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -36.89 0.23 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 125.029 1.455 . . . . 0.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' A' ' 27' ' ' SER . 43.8 t0 179.24 -111.98 0.0 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.006 1.441 . . . . 0.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.6 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . 66.19 -36.79 0.15 Allowed Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.611 ' H ' ' C ' ' A' ' 25' ' ' ASP . 4.9 t 100.31 155.76 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.902 1.001 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mttm 80.14 -169.64 0.04 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -152.62 139.34 18.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.98 121.97 44.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.04 1.462 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.16 155.04 0.05 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 0.0 109.267 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.439 HG11 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -156.42 149.84 10.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.969 1.418 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.719 ' CE1' ' CE2' ' A' ' 34' ' ' PHE . 83.0 t60 -151.51 158.27 43.38 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.046 1.466 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.719 ' CE2' ' CE1' ' A' ' 33' ' ' HIS . 6.5 p90 -61.75 174.69 0.76 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.112 1.508 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.2 t 95.0 -38.49 0.01 OUTLIER 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.935 1.397 . . . . 0.0 109.215 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.25 14.17 30.83 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.011 1.445 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.1 pt -92.96 60.23 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.996 1.435 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' H ' ' CD ' ' A' ' 38' ' ' GLN . 27.9 mp0 -41.44 95.78 0.01 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.903 1.377 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 37' ' ' ILE . 2.9 t30 -153.76 44.94 0.6 Allowed 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.936 1.398 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.1 t70 60.12 -95.26 0.05 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.914 1.384 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.549 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -128.17 -91.31 0.7 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.1 t80 31.26 52.1 0.16 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.07 . . . . 0.0 109.265 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 139.56 1.46 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.999 1.437 . . . . 0.0 109.317 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 79.46 118.04 0.06 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.91 1.381 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD13 ' H ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -140.49 -170.25 2.96 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.094 1.496 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.647 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 2.1 t0 84.23 157.07 0.1 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.075 1.484 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.7 tt0 138.11 5.65 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.07 49.29 0.42 Allowed Glycine 0 C--N 1.346 1.103 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -106.46 161.29 14.73 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.038 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -108.03 108.34 19.4 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.981 1.425 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 52' ' ' SER . 1.8 m -126.36 -167.63 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.896 1.372 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 51' ' ' VAL . 3.1 m -124.26 178.16 5.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.963 1.414 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 3.8 p90 -166.49 -177.86 4.19 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.939 1.399 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -139.6 85.26 2.03 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.487 HG13 ' CE1' ' A' ' 53' ' ' PHE . 23.1 mt -38.62 107.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.918 1.386 . . . . 0.0 109.241 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.88 -170.49 2.19 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -133.84 126.42 30.47 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.855 1.347 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.93 -89.35 1.91 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.249 -1.541 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.95 -77.99 0.59 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.078 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.86 76.66 1.74 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.052 1.47 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.07 159.96 8.46 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 162.46 36.73 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.466 2.777 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.18 148.78 27.3 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.998 1.436 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.96 117.13 34.39 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.007 1.442 . . . . 0.0 109.256 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.633 ' O ' HG22 ' A' ' 54' ' ' THR . . . -112.02 169.95 13.37 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 43.31 58.19 3.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.978 1.046 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.02 99.8 7.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.96 1.413 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.1 136.86 46.23 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.985 1.428 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.427 ' HA ' HG12 ' A' ' 51' ' ' VAL . 2.4 p -44.6 161.31 0.03 OUTLIER 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.915 1.385 . . . . 0.0 109.223 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.382 0 O-C-N 125.09 1.494 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 m . . . . . 0 C--O 1.24 0.577 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.63 -39.71 0.78 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.67 155.6 22.18 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.034 1.079 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.527 ' HG3' ' CD1' ' A' ' 53' ' ' PHE . 2.9 ptp -140.44 147.95 40.45 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.041 1.463 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.3 p -59.83 144.28 48.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.941 1.401 . . . . 0.0 109.212 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 122.51 0.88 Allowed Glycine 0 C--N 1.347 1.15 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.72 ' O ' HG22 ' A' ' 22' ' ' THR . 0.3 OUTLIER -99.06 135.13 35.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.931 1.018 . . . . 0.0 109.373 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' H ' ' A' ' 48' ' ' GLY . 7.8 p -74.72 128.8 36.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.965 1.416 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -88.19 -79.31 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.511 ' CD1' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -136.36 170.54 15.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 29.2 p90 -176.66 114.71 0.11 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.937 1.398 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 5.2 m-80 -81.8 118.08 22.6 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.977 1.423 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.48 26.07 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -106.54 -45.8 4.16 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.098 1.498 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.499 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.5 -37.02 21.82 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.461 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 106.89 69.0 0.69 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 92.7 m-85 -161.1 149.44 15.94 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.041 1.083 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.59 155.3 22.99 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -142.94 123.53 14.06 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.055 1.091 . . . . 0.0 109.354 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.65 145.92 23.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.047 1.467 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 8' ' ' ILE . 11.1 t -113.13 142.69 27.8 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.993 1.433 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HG2' ' H ' ' A' ' 27' ' ' SER . 18.5 Cg_endo -74.97 -160.28 0.1 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.94 -37.38 1.72 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.965 1.415 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -97.3 -29.31 13.62 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.026 1.454 . . . . 0.0 109.333 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.59 -115.67 0.07 OUTLIER Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.403 ' H ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER 175.65 -70.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.989 1.052 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 162.36 0.54 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.066 1.479 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.61 137.64 41.39 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 125.044 1.465 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 m -90.71 154.56 3.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.907 1.38 . . . . 0.0 109.253 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 18.7 p90 -89.21 140.83 29.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -160.56 166.63 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.914 1.384 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.542 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 2.0 t-160 -111.78 82.08 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.455 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.542 ' CZ ' ' CD2' ' A' ' 33' ' ' HIS . 2.3 m-85 77.78 -25.84 0.19 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.016 1.448 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.514 ' HB3' HG21 ' A' ' 67' ' ' VAL . 22.7 t 76.22 19.5 1.75 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.3 56.53 7.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.521 HD13 ' H ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -52.67 -179.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.034 1.459 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -117.27 61.43 0.74 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -128.56 160.1 33.45 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.1 -45.38 2.56 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -138.66 0.15 Allowed Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.16 120.42 7.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.071 . . . . 0.0 109.305 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -141.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.969 1.418 . . . . 0.0 109.381 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.54 164.65 0.09 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.057 1.473 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -105.27 -139.88 0.37 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.005 1.44 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.44 23.72 7.46 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 1.4 tt0 37.37 84.21 0.02 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.068 1.48 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.509 ' H ' HG13 ' A' ' 9' ' ' VAL . . . 99.13 90.12 2.0 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 25.6 tt0 -160.67 146.03 14.58 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.985 1.05 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -89.35 124.98 34.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.995 1.434 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.467 HG21 ' HB ' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -150.23 173.51 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 125.049 1.468 . . . . 0.0 109.359 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.95 106.7 18.99 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.0 1.438 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 0.5 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 66' ' ' ASN . 1.6 p -129.41 100.59 5.62 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.009 1.443 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 ' CE2' ' A' ' 53' ' ' PHE . 8.9 mt -42.44 157.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.914 1.384 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -132.33 127.98 36.71 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.051 1.469 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -122.0 113.94 20.27 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.897 1.373 . . . . 0.0 109.354 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.66 -41.85 0.33 Allowed Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.19 -74.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.063 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -40.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.963 1.414 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.61 -169.98 12.59 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.48 2.787 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . . . -139.92 178.16 7.45 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.949 1.405 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.508 ' H ' ' HB ' ' A' ' 32' ' ' VAL . . . -96.39 -153.05 0.4 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.995 1.434 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.426 ' O ' ' OG1' ' A' ' 54' ' ' THR . . . 149.33 133.72 2.24 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.538 ' O ' HG23 ' A' ' 54' ' ' THR . 71.8 m-20 56.54 109.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.081 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 35' ' ' SER . 0.9 OUTLIER -139.42 122.23 17.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 124.985 1.428 . . . . 0.0 109.219 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.33 119.44 34.65 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.995 1.435 . . . . 0.0 109.256 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.402 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 10.6 p -47.51 134.7 11.85 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.967 1.417 . . . . 0.0 109.218 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.985 1.428 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.239 0.506 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.13 -114.12 0.05 OUTLIER Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -164.68 1.11 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.004 1.061 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.4 ptp -165.37 157.25 14.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.41 . . . . 0.0 109.338 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -90.4 149.74 22.14 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.061 1.475 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.46 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -158.76 -155.02 7.43 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.479 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -149.37 140.72 17.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.986 1.05 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.31 136.3 27.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.047 1.467 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.19 -63.73 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.032 1.457 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.78 162.15 25.75 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.977 1.423 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -168.52 146.4 4.08 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.019 1.449 . . . . 0.0 109.347 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.5 ' CG ' ' CD ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -123.61 146.99 47.76 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.028 1.455 . . . . 0.0 109.342 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 34' ' ' PHE . . . -105.82 -53.38 2.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.448 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -63.65 -6.02 4.83 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.076 1.485 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' CD ' ' CG ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -130.79 -19.59 2.94 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.918 1.386 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 13' ' ' ASN . . . 54.33 73.68 0.39 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -130.68 31.04 4.59 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.049 . . . . 0.0 109.391 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.497 ' HA2' ' HB2' ' A' ' 12' ' ' PHE . . . -37.69 101.55 0.01 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.62 109.83 22.52 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.067 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.496 HG21 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -100.95 176.18 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.025 1.453 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.463 ' H ' HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -142.65 105.29 5.39 Favored Pre-proline 0 C--O 1.241 0.626 0 O-C-N 124.953 1.408 . . . . 0.0 109.237 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.31 0.23 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.501 2.801 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -136.59 -1.03 2.32 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 125.033 1.458 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.67 -44.62 9.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.35 44.14 0.05 OUTLIER Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.36 126.05 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.023 1.072 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 172.48 -172.78 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.13 1.519 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.54 124.79 5.69 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.432 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 3.0 m -101.76 111.64 32.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.95 1.406 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -90.41 124.65 35.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.042 1.463 . . . . 0.0 109.22 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' CG2' ' HA ' ' A' ' 35' ' ' SER . 1.2 p -160.5 156.38 3.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.02 1.45 . . . . 0.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -64.97 83.92 0.04 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.998 1.437 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 12' ' ' PHE . 18.1 m-30 49.89 28.86 3.02 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.086 1.491 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.553 ' CB ' HG23 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 37.84 33.01 0.04 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.024 1.452 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.26 64.6 1.17 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.051 1.469 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -47.22 178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 0.0 109.248 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 67' ' ' VAL . 21.5 mm-40 -105.25 32.02 4.51 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.892 1.37 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.526 HD21 ' H ' ' A' ' 39' ' ' ASN . 0.0 OUTLIER -82.13 -176.55 6.22 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -154.46 32.45 0.42 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.093 1.496 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.39 -34.7 0.28 Allowed Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.551 ' C ' ' H ' ' A' ' 44' ' ' SER . 5.3 m-85 -101.21 88.0 3.38 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.99 1.053 . . . . 0.0 109.303 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.679 ' H ' ' CE ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.95 17.72 0.07 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.04 1.462 . . . . 0.0 109.35 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.551 ' H ' ' C ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -101.23 144.26 30.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.955 1.409 . . . . 0.0 109.328 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 tp -116.2 173.41 6.6 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.98 1.425 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.69 89.72 6.28 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.052 1.47 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 7.5 pt-20 -50.23 98.42 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.956 1.41 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.04 72.79 1.21 Allowed Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -154.73 155.31 34.32 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.047 1.086 . . . . 0.0 109.252 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -76.74 114.01 15.03 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.119 1.512 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.64 145.91 26.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.405 ' CB ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -92.74 174.82 7.06 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.496 ' CE2' HG21 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -170.24 -177.56 2.53 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.942 1.401 . . . . 0.0 109.383 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.0 t -113.47 69.39 0.7 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.068 1.48 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.9 OUTLIER -34.69 119.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.05 1.469 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.41 140.27 20.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.063 1.477 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 80.02 140.03 0.07 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.5 -167.41 24.99 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . 59.1 103.53 0.02 OUTLIER 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.961 1.036 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.0 tptp 96.38 -43.63 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.37 101.82 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 165.56 30.94 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.549 2.833 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.66 -173.84 4.52 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.395 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.67 -158.96 0.9 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.003 1.439 . . . . 0.0 109.302 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.737 ' O ' HG22 ' A' ' 54' ' ' THR . . . 174.28 173.14 40.06 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 41.78 77.75 0.05 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.951 1.03 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -93.02 161.62 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.928 1.392 . . . . 0.0 109.351 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -145.56 119.21 9.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.064 1.477 . . . . 0.0 109.334 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.63 127.17 31.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.344 0.352 0 O-C-N 124.975 1.422 . . . . 0.0 109.27 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.61 158.45 12.88 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 161.92 1.82 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.056 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.536 ' CE ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -117.02 156.26 27.82 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -76.84 147.85 36.89 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.062 1.476 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.592 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . -163.14 106.88 0.29 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -84.59 125.43 40.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.949 1.029 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.603 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 3.3 p -65.06 143.8 15.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.869 1.356 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 15.8 mmtt -126.63 -66.12 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.995 1.434 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.97 71.95 1.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.993 1.433 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.706 ' CG ' ' O ' ' A' ' 12' ' ' PHE . 1.6 p90 -103.85 51.65 0.78 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.986 1.429 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -37.63 97.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.861 1.351 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 62.38 0.93 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.948 1.405 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -159.53 -72.07 0.08 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.044 1.465 . . . . 0.0 109.338 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 3.8 ptmt -130.8 -40.76 1.19 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . -52.37 -15.87 3.08 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 12.0 m-85 78.67 -159.42 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.0 1.059 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA2' ' HB2' ' A' ' 12' ' ' PHE . . . -109.05 142.0 16.06 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HE1' ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -149.94 113.85 5.09 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.893 0.996 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 22' ' ' THR . 66.5 mt -114.0 164.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -109.47 116.82 54.09 Favored Pre-proline 0 C--O 1.238 0.494 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD3' HG12 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.85 -159.48 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.557 2.838 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 25' ' ' ASP . 18.9 p-10 -147.2 -11.04 0.43 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.889 1.368 . . . . 0.0 109.179 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 24' ' ' ASP . 59.1 m-20 -130.02 -72.52 0.57 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.908 1.38 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.19 84.06 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p 57.72 -150.77 0.43 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.947 1.028 . . . . 0.0 109.352 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -138.16 48.03 1.98 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.878 1.361 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' CB ' ' HE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -162.52 145.88 11.41 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.098 1.499 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG12 ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -163.55 109.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.069 1.481 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -68.61 143.51 54.82 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.968 1.418 . . . . 0.0 109.243 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.591 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -145.78 170.94 5.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.949 1.406 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.591 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.4 m-70 -136.82 142.51 42.89 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 125.048 1.467 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -57.6 -171.85 0.01 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m 68.03 6.72 5.36 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.949 1.405 . . . . 0.0 109.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 -18.58 9.0 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.937 1.398 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.503 ' O ' ' CG1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -71.07 60.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 83.6 mm-40 35.6 40.3 0.08 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.447 . . . . 0.0 109.258 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 7.3 p30 42.39 -160.39 0.01 OUTLIER 'General case' 0 C--O 1.242 0.658 0 O-C-N 125.054 1.471 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER 145.63 -52.24 0.01 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.901 1.376 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.06 -76.64 0.31 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -67.98 119.98 13.49 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.075 1.103 . . . . 0.0 109.267 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -40.73 101.72 0.02 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.44 . . . . 0.0 109.321 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.869 ' O ' ' O ' ' A' ' 45' ' ' LEU . 63.4 m -68.53 -154.81 0.02 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.985 1.428 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.869 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 32.18 117.95 0.0 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.953 1.408 . . . . 0.0 109.322 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.0 47.12 1.43 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.038 1.461 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 72.28 89.64 0.1 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 0.0 109.337 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.459 ' H ' HG13 ' A' ' 9' ' ' VAL . . . 106.78 100.27 2.65 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.9 tt0 -172.13 127.82 0.58 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 125.074 1.102 . . . . 0.0 109.358 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HG3' ' HZ2' ' A' ' 50' ' ' LYS . 6.5 tttp -75.56 123.33 25.3 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.49 ' HA ' ' H ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -145.09 145.46 20.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 125.06 1.475 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.53 137.91 31.9 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.056 1.472 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -129.12 -164.99 1.45 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.939 1.4 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.2 t -127.1 64.29 1.31 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 0.0 109.267 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.492 HG13 ' CE1' ' A' ' 53' ' ' PHE . 8.7 mt -38.38 114.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.997 1.435 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.34 163.68 31.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.228 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -105.44 135.67 46.4 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.921 1.388 . . . . 0.0 109.246 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.49 161.91 30.8 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 59.42 -86.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.904 1.002 . . . . 0.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 -42.33 0.18 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.03 -162.61 32.08 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -177.39 3.41 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.578 2.852 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . . . -167.96 161.58 12.94 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.09 1.494 . . . . 0.0 109.311 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.503 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -112.19 -147.43 0.42 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.907 1.379 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.595 ' O ' HG22 ' A' ' 54' ' ' THR . . . 133.45 170.06 12.3 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.9 m-20 26.79 80.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.953 1.031 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.45 HG22 ' HB3' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -103.98 153.36 6.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 121.79 6.79 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.936 1.398 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.594 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -51.71 123.86 11.08 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 0.0 109.232 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.345 0.389 0 O-C-N 124.909 1.38 . . . . 0.0 109.259 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.24 0.599 0 CA-C-O 118.325 -0.845 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.35 136.53 2.26 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -85.94 -178.91 6.69 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.057 1.092 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.439 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -70.68 126.15 28.81 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.056 1.472 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -83.92 157.97 21.75 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.082 1.488 . . . . 0.0 109.205 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CE1' ' A' ' 53' ' ' PHE . . . 175.56 138.46 2.81 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.501 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.89 166.66 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 124.971 1.042 . . . . 0.0 109.221 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.566 ' HB ' ' CG ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.39 146.41 15.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.013 1.446 . . . . 0.0 109.309 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -115.79 -58.96 2.05 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.936 1.398 . . . . 0.0 109.22 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.17 131.05 53.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.061 1.476 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.98 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -107.49 152.92 23.58 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.524 ' C ' ' CE2' ' A' ' 34' ' ' PHE . 6.1 m-80 -142.86 105.63 4.51 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.993 1.433 . . . . 0.0 109.264 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.484 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -105.41 10.12 33.45 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.942 1.401 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.59 -31.52 41.82 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.03 1.456 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -130.39 -19.66 3.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.988 1.43 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.06 64.88 1.34 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.9 m-85 -145.41 35.13 1.07 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.09 . . . . 0.0 109.28 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 34' ' ' PHE . . . -33.57 130.05 0.39 Allowed Glycine 0 C--N 1.344 1.015 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.62 110.45 21.6 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.046 1.086 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.584 HG13 ' CG1' ' A' ' 32' ' ' VAL . 1.2 mt -100.7 163.42 3.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.032 1.458 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -128.04 112.52 20.16 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.92 1.388 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -175.55 2.39 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.523 2.815 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -94.94 -39.5 10.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.466 . . . . 0.0 109.254 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -165.04 -1.88 0.03 OUTLIER 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.068 1.48 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.52 76.75 2.2 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.85 -164.15 0.04 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.096 . . . . 0.0 109.323 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.95 -169.9 1.62 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.032 1.457 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.27 128.8 4.8 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.007 1.442 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -119.04 141.17 40.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.422 . . . . 0.0 109.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 17.4 p90 -89.98 151.85 21.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.584 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -153.17 145.71 14.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.935 1.397 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.437 ' C ' ' H ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -80.62 132.26 35.6 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.024 1.453 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.98 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 19.0 m-30 -71.54 44.8 0.1 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.044 1.465 . . . . 0.0 109.233 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 33' ' ' HIS . 2.0 t -108.29 -2.55 19.16 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.075 1.484 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 24.11 3.94 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.96 1.413 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 60.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.914 1.383 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -42.68 97.72 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.436 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 162.16 102.0 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.981 1.425 . . . . 0.0 109.262 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -86.84 122.89 31.34 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.063 1.477 . . . . 0.0 109.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.89 -142.56 7.46 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -58.32 120.28 8.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.965 1.038 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -68.62 72.44 0.22 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.995 1.434 . . . . 0.0 109.362 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -170.1 129.09 0.9 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -167.5 1.64 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.044 1.465 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.566 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 3.0 m-20 58.6 -176.44 0.08 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.988 1.43 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 29.6 tt0 89.48 29.28 0.02 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.82 73.67 1.27 Allowed Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.179 -1.569 . . . . 0.0 109.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HG3' ' CG1' ' A' ' 51' ' ' VAL . 1.4 tp-100 -148.54 124.54 10.68 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.998 1.058 . . . . 0.0 109.389 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -81.77 114.52 20.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.957 1.411 . . . . 0.0 109.306 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.426 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 2.7 m -120.74 -168.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.886 1.366 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.15 140.88 25.7 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.024 1.453 . . . . 0.0 109.371 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -134.34 -157.21 0.79 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.005 1.441 . . . . 0.0 109.414 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.6 t -143.28 27.69 1.56 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.054 1.471 . . . . 0.0 109.385 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.524 ' CG2' ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER 52.42 169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.932 1.395 . . . . 0.0 109.21 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.524 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.1 mm-40 -145.26 -139.57 0.1 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.89 1.369 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 80.29 104.4 0.07 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.002 1.438 . . . . 0.0 109.204 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.02 -34.07 1.42 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.82 -41.17 3.62 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.994 1.055 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' HG2' ' H ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -179.2 -58.42 0.01 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.085 1.49 . . . . 0.0 109.348 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.457 ' H ' ' HG2' ' A' ' 60' ' ' LYS . . . -52.63 112.04 1.92 Allowed Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.488 ' O ' ' CZ ' ' A' ' 31' ' ' PHE . 18.6 Cg_endo -74.87 162.17 37.82 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.568 2.845 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . . . -174.41 -160.31 0.1 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.284 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -145.02 147.91 33.14 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.919 1.387 . . . . 0.0 109.357 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.605 ' O ' HG22 ' A' ' 54' ' ' THR . . . -126.69 160.78 21.04 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.244 -1.543 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 46.86 64.73 1.43 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.056 . . . . 0.0 109.355 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.82 112.98 25.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.374 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.88 136.26 54.13 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.995 1.434 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 p -70.52 127.61 33.31 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.957 1.41 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.975 1.422 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.239 0.515 0 CA-C-O 118.392 -0.813 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.59 -159.72 13.66 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 162.55 15.67 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.015 1.067 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -112.29 136.61 51.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.99 1.431 . . . . 0.0 109.274 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 31.6 p -79.85 161.2 25.75 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.927 1.392 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.515 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 174.46 127.64 1.02 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.559 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -91.49 144.48 9.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.047 1.086 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -104.13 160.34 4.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.066 1.479 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 9.7 mtmt -158.46 -23.3 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.942 1.402 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 10' ' ' LYS . 7.9 m-90 -94.92 25.21 4.26 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.036 1.46 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CZ ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -80.25 136.65 36.5 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.013 1.446 . . . . 0.0 109.357 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.796 HD22 ' CG ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -143.14 115.04 8.25 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 0.0 109.288 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.18 22.66 13.67 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.033 1.458 . . . . 0.0 109.224 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -88.23 -45.15 10.31 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.796 ' CG ' HD22 ' A' ' 13' ' ' ASN . 0.8 OUTLIER -106.6 -30.42 9.03 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 109.53 55.0 0.56 Allowed Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.447 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 23.1 m-85 -169.21 157.46 7.66 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.001 1.059 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.91 -179.23 47.16 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 31' ' ' PHE . 10.0 m-85 -137.47 161.15 37.13 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.084 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.53 ' HB ' ' CG2' ' A' ' 30' ' ' VAL . 2.6 mt -122.08 158.8 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.038 1.461 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.4 113.92 36.63 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.064 1.478 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 104.02 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.506 2.804 . . . . 0.0 110.996 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -48.65 -36.74 16.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -82.32 -35.38 27.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.031 1.457 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.502 ' H ' ' HB2' ' A' ' 23' ' ' PRO . . . -84.08 -135.24 2.87 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.0 p -169.41 -40.8 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.06 . . . . 0.0 109.374 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.24 -169.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -129.68 112.03 13.26 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.988 1.43 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.53 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 27.4 m -78.01 132.09 33.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 125.002 1.438 . . . . 0.0 109.381 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 1.9 p90 -85.9 133.75 33.93 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.02 1.45 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -150.56 166.2 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.01 1.443 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -111.6 128.58 56.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.962 1.414 . . . . 0.0 109.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.453 ' CE1' ' HE3' ' A' ' 43' ' ' LYS . 97.2 m-85 56.38 23.97 7.91 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.079 1.487 . . . . 0.0 109.293 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.465 ' O ' HG21 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 73.01 24.18 2.58 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 37.23 35.43 0.05 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.05 1.469 . . . . 0.0 109.25 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' CG2' HD13 ' A' ' 45' ' ' LEU . 4.3 pt -53.72 179.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.053 1.47 . . . . 0.0 109.289 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -107.11 41.74 1.42 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.97 151.09 19.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.064 1.477 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.37 117.09 15.79 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.022 1.451 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 63.03 -98.0 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.541 ' C ' ' O ' ' A' ' 41' ' ' GLY . 7.4 m-85 31.1 72.63 0.06 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.053 . . . . 0.0 109.28 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 2.2 mmtm -59.92 91.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.917 1.385 . . . . 0.0 109.229 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.868 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -113.92 -156.14 0.59 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.976 1.423 . . . . 0.0 109.366 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.868 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 32.28 118.15 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.929 1.393 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -84.83 -152.99 0.15 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 3.5 pt-20 -99.33 80.11 2.38 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.65 65.62 0.04 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 19.2 mt-30 -135.77 141.99 44.87 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.091 1.112 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -91.57 121.95 33.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 125.006 1.441 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.37 165.7 20.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -102.69 119.31 38.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.636 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -106.01 -166.7 1.22 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 0.0 109.251 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.8 t -121.76 29.4 7.16 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.472 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.64 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.0 mt 5.31 93.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.425 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.63 170.49 15.72 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.096 1.498 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 p -115.23 139.79 49.65 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.965 1.416 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.39 -88.52 1.25 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -133.2 85.7 2.24 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.97 1.041 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 85.92 -31.68 0.05 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.55 175.27 19.42 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.02 -175.83 2.57 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.569 2.846 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.87 163.84 0.35 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.014 1.446 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -119.58 -149.13 0.43 Allowed 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.971 1.419 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.863 ' O ' ' HB2' ' A' ' 66' ' ' ASN . . . 131.42 94.28 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.863 ' HB2' ' O ' ' A' ' 65' ' ' GLY . 77.0 m-20 102.48 69.89 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.075 1.103 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.636 ' CG1' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -113.22 132.88 60.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 125.097 1.498 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.97 119.98 38.36 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.017 1.448 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -52.14 148.31 6.47 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.079 1.487 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.405 ' HG ' ' HD2' ' A' ' 50' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.992 1.432 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.608 0 CA-C-O 118.382 -0.818 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.22 -116.25 4.5 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 162.24 17.73 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.003 1.061 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.404 ' SD ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -138.97 144.98 39.19 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -82.25 158.59 23.45 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.433 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.499 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.02 130.03 1.29 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.59 144.96 8.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.051 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.496 HG23 ' CG1' ' A' ' 21' ' ' ILE . 3.5 p -86.37 146.43 6.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.044 1.465 . . . . 0.0 109.433 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mttt -116.94 -37.25 3.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -152.01 146.3 25.47 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.295 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 172.35 154.09 0.08 Allowed 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.928 1.392 . . . . 0.0 109.352 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.768 ' H ' ' CA ' ' A' ' 18' ' ' PHE . 5.6 t-20 78.4 -169.67 0.05 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.934 1.396 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.659 ' C ' ' H ' ' A' ' 16' ' ' LYS . . . 44.35 18.61 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' N ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER 63.61 -14.95 0.07 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.976 1.423 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.659 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -50.92 -22.91 2.48 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.946 1.404 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' PHE . . . -174.89 -14.81 0.02 OUTLIER Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.768 ' CA ' ' H ' ' A' ' 13' ' ' ASN . 5.5 m-85 63.8 -78.68 0.03 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.025 1.074 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.486 ' CA ' HG13 ' A' ' 32' ' ' VAL . . . -124.22 113.55 2.06 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -151.38 108.84 3.61 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.07 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CG1' HG23 ' A' ' 9' ' ' VAL . 11.5 mt -124.39 159.92 29.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.427 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -130.02 139.78 36.66 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.032 1.458 . . . . 0.0 109.253 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.3 Cg_endo -75.06 -177.6 3.6 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.471 2.781 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -41.42 -34.62 0.56 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 0.0 109.396 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 26' ' ' GLY . 2.4 p-10 173.82 -110.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . 62.95 -79.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.081 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.4 OUTLIER 159.53 170.67 0.01 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.041 1.083 . . . . 0.0 109.429 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 65.76 -175.11 0.18 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.968 1.417 . . . . 0.0 109.313 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -160.04 129.56 5.21 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.0 1.437 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 30' ' ' VAL . 1.9 m -71.86 119.77 18.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.117 1.511 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -85.62 162.43 18.84 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.441 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -160.51 170.02 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.44 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.9 t60 -142.24 145.48 34.12 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.011 1.444 . . . . 0.0 109.398 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.545 ' O ' ' CB ' ' A' ' 35' ' ' SER . 7.4 m-85 -42.44 158.7 0.03 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.934 1.396 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.3 t 94.95 -14.32 0.1 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.42 14.95 7.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.685 HG12 ' H ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.94 179.66 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.685 ' H ' HG12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -118.39 99.36 6.79 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 178.02 159.13 0.48 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.985 1.428 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -143.57 122.26 12.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.034 1.459 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 85.6 143.81 7.04 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 31.11 62.74 0.22 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.952 1.03 . . . . 0.0 109.246 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HG3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.51 105.28 4.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.952 1.408 . . . . 0.0 109.332 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -170.25 129.35 0.89 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.0 1.438 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 8.0 tp -101.56 173.81 6.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.78 124.18 48.43 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.017 1.448 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.6 107.5 0.22 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.911 1.382 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 85.57 1.88 Allowed Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 50' ' ' LYS . 38.2 tt0 -160.81 162.42 32.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.087 1.11 . . . . 0.0 109.244 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -91.38 118.71 30.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.985 1.428 . . . . 0.0 109.223 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 69' ' ' SER . 4.4 m -127.64 -161.57 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.953 1.408 . . . . 0.0 109.358 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.524 ' HB2' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -144.77 176.82 9.16 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.046 1.466 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.499 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -168.76 -156.6 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.985 1.428 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.4 t -152.48 29.61 0.54 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.013 1.445 . . . . 0.0 109.255 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' THR . 5.5 mt 31.07 90.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.519 ' HG2' ' H ' ' A' ' 65' ' ' GLY . 1.7 mm-40 -65.81 -139.01 0.0 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.976 1.422 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.544 ' CA ' ' HA ' ' A' ' 62' ' ' PRO . 1.3 p 80.94 120.53 0.05 OUTLIER 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.977 1.423 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' H ' ' H ' ' A' ' 59' ' ' ALA . . . -161.26 -19.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -122.96 27.09 7.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.989 1.052 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 90.8 -19.03 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.03 1.456 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.29 106.44 2.76 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HA ' ' CA ' ' A' ' 57' ' ' SER . 18.1 Cg_endo -75.05 175.18 11.58 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.562 2.841 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 56' ' ' GLU . . . 177.36 -161.53 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 O-C-N 124.947 1.405 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.564 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -138.71 102.02 4.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' C ' ' A' ' 66' ' ' ASN . . . -97.27 -177.28 34.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 125.13 1.519 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.525 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.6 m-20 25.69 57.97 0.06 Allowed 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.966 1.039 . . . . 0.0 109.259 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -85.03 168.23 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.529 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -167.19 129.76 1.71 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.048 1.468 . . . . 0.0 109.34 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.506 ' CB ' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.87 130.77 35.22 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 C--N 1.345 0.386 0 O-C-N 125.044 1.465 . . . . 0.0 109.335 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.4 158.71 24.15 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -87.37 -169.9 2.81 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.97 1.041 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.437 ' CG ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -122.03 143.97 49.18 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.024 1.452 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.9 p -83.5 139.55 32.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.993 1.433 . . . . 0.0 109.245 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.507 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . -172.6 113.81 0.49 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.623 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -73.58 138.83 20.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.065 . . . . 0.0 109.353 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -94.24 145.3 8.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.05 1.469 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -92.18 -48.39 6.73 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.997 1.435 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.583 ' CZ3' ' CG ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -122.63 164.61 17.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.415 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -174.36 117.06 0.21 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.986 1.429 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -146.06 138.98 25.73 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.961 1.413 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.523 ' CB ' ' CE1' ' A' ' 34' ' ' PHE . . . -107.84 33.36 4.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.076 1.485 . . . . 0.0 109.429 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -56.33 1.05 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.924 1.39 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.686 ' CD ' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.49 -60.89 3.13 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.017 1.448 . . . . 0.0 109.349 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 166.03 62.81 0.03 OUTLIER Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 33' ' ' HIS . 0.3 OUTLIER 72.15 -159.69 0.11 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.093 1.114 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.93 -177.87 24.35 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CG ' ' CZ3' ' A' ' 11' ' ' TRP . 4.5 m-85 -115.46 140.63 48.97 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.968 1.04 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.564 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.8 mt -98.48 164.39 2.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.471 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -125.88 90.35 50.55 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.039 1.462 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 141.64 27.25 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.833 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.1 p-10 -58.87 -92.64 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.025 1.453 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.444 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.4 m-20 39.24 -101.73 0.03 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.08 1.488 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -139.45 38.32 1.65 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.5 p 91.19 -159.94 0.01 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.031 1.077 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' SER . 1.1 tttt 95.46 -176.06 0.01 OUTLIER 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.0 1.438 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 1.2 p30 -160.1 156.68 27.23 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.94 1.4 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -131.75 152.03 36.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.002 1.439 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.13 128.01 36.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.211 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -160.64 158.8 2.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -109.3 -156.52 0.59 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.952 1.407 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 14' ' ' ALA . 1.4 p90 -117.7 23.49 11.68 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 1.6 t -98.97 -17.26 18.41 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.96 1.413 . . . . 0.0 109.282 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.32 14.46 22.3 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.97 1.419 . . . . 0.0 109.234 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.437 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 2.7 pp -72.32 -179.73 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.038 1.461 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 37' ' ' ILE . 13.5 mp0 -129.38 81.62 2.03 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -169.5 154.21 5.52 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -126.93 91.58 3.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.472 . . . . 0.0 109.371 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.24 -104.26 0.27 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 44' ' ' SER . 7.2 t80 -67.61 84.82 0.19 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.123 1.131 . . . . 0.0 109.281 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 84.53 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.443 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 27.1 m -170.12 148.7 3.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.908 1.38 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.2 mt -114.46 -162.48 0.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.003 1.439 . . . . 0.0 109.364 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.36 130.57 40.89 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.061 1.476 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 119.06 8.52 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.083 1.489 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.69 67.76 1.38 Allowed Glycine 0 C--N 1.347 1.164 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.623 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -152.1 138.23 18.28 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.071 . . . . 0.0 109.206 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' CB ' HG22 ' A' ' 8' ' ' ILE . 15.1 tttp -68.89 126.1 28.71 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.98 1.425 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 1.7 m -124.61 140.72 46.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.8 p -85.23 67.65 10.23 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.753 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 9.5 p90 -73.6 -163.96 0.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 66' ' ' ASN . 2.3 t -158.37 72.3 0.61 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.969 1.418 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.534 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -24.4 126.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.94 1.4 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -141.16 -170.6 3.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.058 1.474 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.15 140.1 18.25 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.97 1.419 . . . . 0.0 109.377 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.65 40.4 2.11 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.321 -1.511 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 43.63 44.14 5.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.947 1.028 . . . . 0.0 109.231 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 61.88 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.045 1.466 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.18 155.32 31.88 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.03 109.42 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.498 2.799 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . . . -102.6 176.03 5.3 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.044 1.465 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -150.7 103.69 3.12 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.421 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.84 54.23 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.753 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 4.8 m120 61.59 113.97 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.982 1.048 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.423 ' CG1' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -125.86 7.38 4.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.997 1.436 . . . . 0.0 109.298 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.484 ' O ' ' CB ' ' A' ' 51' ' ' VAL . 6.1 t -67.16 167.86 11.34 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.945 1.403 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.65 159.61 15.74 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.943 1.402 . . . . 0.0 109.367 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.959 1.412 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.83 -45.62 3.45 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 160.83 26.66 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.964 1.037 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.514 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -127.13 151.06 49.15 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.969 1.418 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -92.19 154.99 18.31 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.016 1.447 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.23 128.64 1.64 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.507 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -90.09 155.81 3.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 O-C-N 124.997 1.057 . . . . 0.0 109.305 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.45 HG11 HD12 ' A' ' 45' ' ' LEU . 14.9 p -107.39 151.91 9.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -140.13 -14.11 1.03 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.077 1.486 . . . . 0.0 109.352 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.474 ' HB2' ' H ' ' A' ' 20' ' ' PHE . 2.1 m95 -98.54 -128.41 0.18 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.521 ' HA ' ' CA ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 75.98 116.35 0.06 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.867 1.354 . . . . 0.0 109.345 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.923 HD22 ' CB ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -138.25 137.09 37.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.027 1.454 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.72 8.13 34.96 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.968 1.417 . . . . 0.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.923 ' CB ' HD22 ' A' ' 13' ' ' ASN . 5.4 t0 -86.23 -64.8 1.09 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.047 1.467 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HD2' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -79.32 -24.18 42.98 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 125.004 1.44 . . . . 0.0 109.187 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.471 ' C ' ' CE1' ' A' ' 33' ' ' HIS . . . 90.84 69.74 1.2 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -175.06 163.98 3.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.013 1.067 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.521 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -154.72 170.69 33.06 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' H ' ' HB2' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -150.29 128.39 11.93 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.901 1.0 . . . . 0.0 109.288 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.55 ' CG1' HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -90.59 167.24 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.028 1.455 . . . . 0.0 109.23 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.51 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.23 96.52 12.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 18.6 Cg_endo -74.9 123.97 8.33 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.542 2.828 . . . . 0.0 111.07 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -67.91 0.24 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.931 1.394 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -60.15 -32.85 71.42 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.901 1.375 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.84 73.06 1.6 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.251 -1.539 . . . . 0.0 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.21 -31.98 0.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.092 1.113 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -169.51 0.01 OUTLIER 'General case' 0 C--O 1.238 0.497 0 O-C-N 125.019 1.45 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.99 141.81 40.44 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.069 1.481 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -116.71 147.42 20.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CZ ' ' CA ' ' A' ' 63' ' ' ALA . 5.7 p90 -74.08 144.91 44.8 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.912 1.382 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -154.8 169.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.951 1.407 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.572 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -136.63 155.32 50.07 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.055 1.472 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 37' ' ' ILE . 54.4 p90 -48.96 -18.25 0.27 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.119 1.512 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' HIS . 46.9 t -88.63 41.83 1.04 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.029 1.456 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.657 ' O ' ' O ' ' A' ' 67' ' ' VAL . . . -140.82 -29.78 0.66 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.047 1.467 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.43 15.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.636 ' H ' ' C ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -46.85 100.98 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.424 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.542 ' CG ' ' H ' ' A' ' 40' ' ' ASP . 62.6 t30 -123.91 -168.59 1.81 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.943 1.402 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.542 ' H ' ' CG ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -43.83 -42.24 5.53 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.91 1.381 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.01 -35.23 0.02 OUTLIER Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -46.36 120.84 3.04 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.0 1.059 . . . . 0.0 109.356 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.48 141.43 46.24 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.954 1.409 . . . . 0.0 109.311 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.403 ' CA ' HG21 ' A' ' 37' ' ' ILE . 0.7 OUTLIER 80.57 133.64 0.06 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.019 1.449 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -64.62 165.44 10.19 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.884 1.365 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.5 t0 -114.38 24.1 12.21 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.987 1.429 . . . . 0.0 109.213 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 14.0 pt-20 34.95 49.16 0.38 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.946 1.404 . . . . 0.0 109.388 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.68 83.95 0.05 OUTLIER Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HG3' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -174.39 142.36 0.77 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.968 1.04 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' CG ' HG22 ' A' ' 8' ' ' ILE . 1.3 ttpp -78.76 132.77 37.05 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.995 1.434 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.6 ' CG1' ' HA ' ' A' ' 69' ' ' SER . 1.6 m -150.26 162.21 3.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.47 162.82 25.21 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 23' ' ' PRO . 0.8 OUTLIER -159.31 145.49 16.42 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 125.008 1.443 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' ILE . 1.4 p -137.48 49.76 1.98 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -30.63 137.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 125.072 1.483 . . . . 0.0 109.3 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -112.36 153.37 27.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.883 1.364 . . . . 0.0 109.226 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 p -93.22 134.58 35.27 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 0.0 109.173 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.737 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . -177.23 66.17 0.09 OUTLIER Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.737 ' CB ' ' O ' ' A' ' 58' ' ' GLY . . . 114.97 -165.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.068 . . . . 0.0 109.236 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -93.6 36.75 1.07 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.949 1.405 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.36 109.59 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.06 109.61 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.464 2.776 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.584 ' CA ' ' CZ ' ' A' ' 31' ' ' PHE . . . -91.04 144.86 25.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.04 1.462 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.12 119.11 14.78 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.039 1.462 . . . . 0.0 109.365 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.88 130.98 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 55.41 100.82 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.988 1.052 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.657 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -133.93 99.1 2.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 125.045 1.466 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.36 119.41 37.9 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.071 1.482 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.6 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 21.0 p -55.67 134.91 51.53 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.502 ' H ' HG12 ' A' ' 51' ' ' VAL . 95.8 mt . . . . . 0 C--N 1.344 0.346 0 O-C-N 125.009 1.443 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.2 161.02 29.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.048 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.58 138.64 39.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.034 1.459 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -94.16 157.98 15.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.064 1.478 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.96 -159.44 18.3 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -148.16 138.2 16.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.993 1.055 . . . . 0.0 109.304 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.78 135.81 24.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.97 1.419 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.35 -61.06 1.42 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -125.77 156.91 38.71 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.066 1.479 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.443 ' HA ' ' CA ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.5 127.88 1.17 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.56 134.64 51.68 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.959 1.412 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.45 -13.34 16.66 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -37.48 66.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.018 1.449 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -38.5 10.83 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 100.33 50.63 1.3 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 23.0 m-85 -165.47 159.32 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.973 1.043 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -159.16 -178.89 33.58 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -133.61 125.9 29.76 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.068 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG1' HG11 ' A' ' 32' ' ' VAL . 1.2 mt -103.74 164.88 3.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -133.15 97.68 16.29 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.013 1.446 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.83 17.02 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.473 2.782 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -70.06 0.09 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.001 1.438 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.76 -34.23 69.34 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.008 1.442 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.24 69.08 1.85 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -32.64 0.22 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.995 1.056 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -57.84 -173.88 0.01 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.022 1.451 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.79 132.45 43.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.016 1.448 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 55' ' ' ILE . 24.5 m -118.21 156.09 20.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.995 1.434 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.06 155.26 19.19 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.966 1.416 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG11 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -140.58 162.11 23.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.018 1.449 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.422 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -132.07 167.32 19.93 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.028 1.455 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -98.9 41.18 1.15 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -123.49 20.25 9.57 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.98 1.425 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -170.46 37.53 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.433 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.603 ' CG1' ' H ' ' A' ' 38' ' ' GLN . 10.0 tt -88.55 -179.14 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.603 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 2.3 mp0 -139.71 75.57 1.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.931 1.395 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -146.56 42.86 1.18 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.956 1.41 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 58.89 -92.3 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -142.26 -141.89 3.97 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.5 t80 31.16 72.74 0.06 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.082 1.107 . . . . 0.0 109.287 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 18.0 mmtp -50.2 120.8 4.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.965 1.415 . . . . 0.0 109.326 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.99 133.73 1.21 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.45 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -137.39 159.02 43.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.96 160.79 14.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 11.1 pt-20 -92.26 120.91 33.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.99 1.431 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.11 41.01 9.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -106.2 148.34 28.02 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.048 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -79.54 119.36 22.41 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.018 1.449 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.23 159.03 29.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.42 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -113.34 171.96 7.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.029 1.455 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE1' HG21 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -169.85 -161.45 0.28 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.985 1.428 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.4 t -154.24 29.58 0.45 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.038 1.461 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.506 ' CD1' HG11 ' A' ' 30' ' ' VAL . 1.1 mm 34.35 83.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.015 1.447 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.58 161.76 24.6 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.984 1.428 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -119.01 139.35 51.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.452 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.25 -38.2 0.02 OUTLIER Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.42 -77.43 0.6 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.039 1.082 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -86.61 0.4 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -131.46 -73.71 0.11 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.443 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 18.5 Cg_endo -74.95 145.79 32.06 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . . . 175.49 101.26 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 38.33 -143.02 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.984 1.428 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.663 ' O ' HG22 ' A' ' 54' ' ' THR . . . 120.43 83.49 0.77 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 56.94 64.18 1.72 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.047 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -81.65 104.39 10.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.043 1.465 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -121.53 148.04 45.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.978 1.423 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -85.89 142.01 29.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.945 1.403 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.372 0 O-C-N 124.981 1.426 . . . . 0.0 109.314 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.93 177.79 5.33 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.051 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.39 148.35 7.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.987 1.429 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -85.12 146.74 26.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.941 1.401 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -173.74 129.49 1.66 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.441 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -97.74 140.43 17.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.075 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.574 ' CG1' ' HA ' ' A' ' 46' ' ' ASP . 1.7 p -78.47 155.01 5.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.404 . . . . 0.0 109.225 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -110.96 -63.74 1.36 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.094 1.496 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.87 166.16 25.7 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.002 1.439 . . . . 0.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -158.64 156.59 30.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 0.0 109.252 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 16' ' ' LYS . 4.0 p30 -131.12 131.82 44.39 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.006 1.441 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.76 -0.08 25.7 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.939 1.399 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -55.08 5.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.078 1.486 . . . . 0.0 109.381 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' CG ' ' OD1' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -81.4 -35.07 31.19 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.935 1.397 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 18' ' ' PHE . . . 101.54 60.08 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 17' ' ' GLY . 64.6 m-85 -158.33 153.38 25.36 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.051 1.089 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.31 170.8 20.79 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 29' ' ' ASP . 10.9 t80 -143.11 114.48 7.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.981 1.047 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.589 ' CD1' HG11 ' A' ' 67' ' ' VAL . 4.7 mt -107.94 168.81 3.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.976 1.423 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.544 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -139.72 108.93 7.17 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.999 1.437 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.537 2.825 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -106.61 -53.18 2.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.078 1.486 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -104.53 -10.59 17.52 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.959 1.412 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.43 -128.87 0.03 OUTLIER Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.4 p -116.76 -108.49 0.37 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.036 1.08 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -178.66 3.62 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.026 1.454 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -58.4 122.88 14.37 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.92 1.387 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.58 128.94 54.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 O-C-N 125.022 1.451 . . . . 0.0 109.266 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -73.83 157.89 35.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 0.0 109.345 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG23 ' H ' ' A' ' 34' ' ' PHE . 2.0 m -119.77 160.05 20.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.77 42.88 2.12 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.043 1.464 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.569 ' H ' HG23 ' A' ' 32' ' ' VAL . 1.7 m-30 46.18 -164.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.95 1.406 . . . . 0.0 109.264 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t 71.81 -26.59 0.18 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.964 1.415 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -138.43 52.84 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -133.34 60.84 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 125.032 1.457 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.594 ' NE2' ' H ' ' A' ' 38' ' ' GLN . 19.6 mm-40 -36.3 100.23 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.942 1.401 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -109.97 -148.28 0.43 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.022 1.451 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.55 -62.5 1.52 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.96 1.412 . . . . 0.0 109.261 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.71 -72.37 0.02 OUTLIER Glycine 0 C--N 1.344 1.002 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.43 119.93 13.7 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.977 1.046 . . . . 0.0 109.315 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -50.38 97.92 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.972 1.42 . . . . 0.0 109.197 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.32 109.01 0.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.969 1.418 . . . . 0.0 109.255 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.681 ' CD1' HE22 ' A' ' 49' ' ' GLN . 10.4 tp -143.14 -139.71 0.11 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.275 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.574 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 6.9 p-10 41.98 -155.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.981 1.425 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 70.6 25.44 4.17 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.007 1.442 . . . . 0.0 109.25 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 49' ' ' GLN . . . 94.82 93.88 1.67 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.681 HE22 ' CD1' ' A' ' 45' ' ' LEU . 20.2 mt-30 -158.85 141.82 14.54 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.043 1.084 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -89.14 117.62 28.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.027 1.454 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -128.74 176.0 9.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.009 1.443 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 p -132.67 142.85 49.28 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.925 1.39 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CE2' HG21 ' A' ' 21' ' ' ILE . 6.9 p90 -153.49 -159.6 1.01 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.04 1.463 . . . . 0.0 109.181 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 54' ' ' THR . 2.4 t -151.61 29.27 0.61 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.981 1.426 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt 36.95 86.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 125.049 1.468 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.538 ' HB2' ' CA ' ' A' ' 65' ' ' GLY . 3.0 mt-10 -82.19 178.41 8.28 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.962 1.414 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 t -149.69 123.88 9.5 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.051 1.469 . . . . 0.0 109.298 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.96 55.36 0.01 OUTLIER Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.48 -161.45 0.59 Allowed 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.044 1.085 . . . . 0.0 109.314 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -37.34 17.05 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.039 1.462 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.26 -151.68 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.98 3.03 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.454 2.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -113.58 164.91 13.05 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 139.22 38.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.897 1.373 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -109.85 141.21 16.09 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 52.1 50.49 18.37 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.97 1.041 . . . . 0.0 109.423 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -79.66 112.65 17.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.037 1.461 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -122.43 123.1 40.54 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.896 1.372 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -58.85 146.39 37.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.031 1.457 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.346 0.423 0 O-C-N 125.014 1.446 . . . . 0.0 109.24 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.603 ' H ' ' HZ2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.15 160.92 19.83 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.37 152.63 41.82 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.069 1.481 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -81.31 171.64 14.56 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.912 1.383 . . . . 0.0 109.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.82 130.73 1.31 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.344 -1.503 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.544 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -103.6 143.9 14.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.941 1.024 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.26 148.4 6.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.014 1.446 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -113.64 -38.84 4.19 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.016 1.448 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -134.21 135.52 43.04 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.041 1.463 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.506 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.67 141.76 27.18 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.077 1.486 . . . . 0.0 109.226 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -123.87 124.02 41.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 0.0 109.344 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.471 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -108.69 23.0 15.17 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.921 1.388 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.618 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -94.83 -45.66 7.22 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' H ' HD21 ' A' ' 13' ' ' ASN . 2.2 pttm -104.22 -34.39 8.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.063 1.477 . . . . 0.0 109.203 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 112.8 64.57 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 43.8 m-85 -167.32 154.58 8.74 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.921 1.012 . . . . 0.0 109.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.02 140.75 6.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.454 ' CE2' ' CE1' ' A' ' 31' ' ' PHE . 1.3 m-85 -89.45 121.19 31.45 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.904 1.003 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.3 mt -110.25 161.86 8.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.411 ' N ' HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -134.78 108.02 10.76 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 18.1 Cg_endo -74.96 141.08 26.32 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.503 2.802 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -51.8 -91.52 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.899 1.374 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 33.4 t70 -57.98 -12.3 3.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 23' ' ' PRO . . . -89.73 84.9 1.38 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -52.28 144.27 13.12 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.075 1.103 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER 92.74 -169.82 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' LYS . 5.2 p-10 -132.84 114.15 13.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.67 140.66 15.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.97 155.34 38.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.097 1.498 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' CB ' ' HB2' ' A' ' 64' ' ' ALA . 1.2 m -150.07 175.09 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.08 1.488 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -144.58 155.22 43.54 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.979 1.424 . . . . 0.0 109.226 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -63.36 -156.44 0.01 OUTLIER 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.073 1.483 . . . . 0.0 109.402 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 73.61 -48.46 0.67 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.092 1.495 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.21 4.52 6.84 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.92 1.387 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.729 ' CD1' ' H ' ' A' ' 43' ' ' LYS . 1.1 pt -72.28 60.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -67.19 95.39 0.41 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.052 1.47 . . . . 0.0 109.303 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.448 ' CB ' ' HE2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 175.73 121.7 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 0.0 109.281 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t0 58.3 -91.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.933 1.396 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 171.73 153.76 9.38 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 t80 31.18 50.04 0.11 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.94 1.023 . . . . 0.0 109.379 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.729 ' H ' ' CD1' ' A' ' 37' ' ' ILE . 26.9 ttpp -64.45 136.65 57.29 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.424 . . . . 0.0 109.219 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -101.94 129.96 48.33 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.915 1.384 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 5.0 mt -86.77 153.88 21.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.965 1.416 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -137.86 159.01 43.15 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.004 1.44 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -76.68 100.37 5.37 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.008 1.442 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.42 54.22 0.45 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -122.06 143.59 49.42 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.043 1.084 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -101.22 103.18 14.2 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.916 1.385 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -113.29 -169.53 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.985 1.428 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.66 158.7 44.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.52 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -162.85 -157.8 0.46 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.989 1.431 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.619 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.3 t -121.44 29.65 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.985 1.428 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.619 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.8 mt 13.06 86.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.916 1.385 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 55' ' ' ILE . 1.9 mt-10 -177.34 133.96 0.18 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.881 1.363 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -97.13 29.99 2.93 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.462 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.28 -49.48 2.15 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 176.75 -39.2 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.045 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.96 -44.42 7.19 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.041 1.463 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.46 -164.58 32.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 156.09 42.79 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.54 2.827 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.03 -159.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 32' ' ' VAL . . . -74.52 -146.07 0.02 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.964 1.415 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' HG22 ' A' ' 54' ' ' THR . . . 133.44 98.07 0.64 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 60.13 62.36 1.64 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.95 1.029 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.65 101.01 5.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.049 1.468 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.414 ' HB ' ' NE2' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -116.99 139.43 50.69 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.952 1.408 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -45.3 160.93 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.033 1.458 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.411 0 O-C-N 125.028 1.455 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.55 160.85 13.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.027 1.075 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.507 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -120.47 140.04 51.99 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.437 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -71.88 167.29 20.34 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.941 1.4 . . . . 0.0 109.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.89 104.98 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.514 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -88.41 142.07 13.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.083 1.108 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 1.2 p -89.3 125.94 42.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.4 mttm -100.15 -41.59 7.06 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.08 1.487 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.445 ' CE3' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -131.57 159.37 38.41 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.43 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -173.71 119.71 0.29 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.862 1.351 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.694 HD21 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -90.76 125.73 35.79 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.902 1.376 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -105.3 28.46 7.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.011 1.444 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.99 -47.61 4.51 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.694 ' H ' HD21 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -98.72 -24.09 15.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.076 1.485 . . . . 0.0 109.365 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 103.17 43.9 1.82 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -118.3 160.09 22.24 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.064 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.418 ' HA3' ' CG2' ' A' ' 32' ' ' VAL . . . -145.48 141.4 9.78 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -117.56 109.61 16.91 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.9 1.0 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CD1' HG11 ' A' ' 32' ' ' VAL . 4.1 mt -102.66 150.33 6.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.06 1.475 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.522 HG22 ' HD2' ' A' ' 23' ' ' PRO . 1.9 m -114.66 140.7 25.66 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.916 1.385 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 22' ' ' THR . 18.1 Cg_endo -75.08 -165.07 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.528 2.819 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.708 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -67.24 0.51 2.73 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.06 1.475 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.708 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 31.3 t70 120.52 0.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.406 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -49.04 -17.14 0.84 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.8 t 98.77 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.977 1.045 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -48.93 151.97 1.14 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.39 115.99 21.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.425 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.511 ' HB ' ' H ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -101.95 132.73 47.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 p90 -90.19 163.5 14.78 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.959 1.412 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 21' ' ' ILE . 6.1 m -148.79 161.14 5.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.031 1.457 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -134.91 144.99 47.8 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 0.0 109.266 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.438 ' C ' ' H ' ' A' ' 36' ' ' ALA . 3.6 m-85 -42.95 -29.03 0.3 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.872 1.357 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -72.34 44.82 0.12 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.096 1.498 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.488 ' O ' ' CG2' ' A' ' 67' ' ' VAL . . . 174.45 74.48 0.0 OUTLIER 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.016 1.447 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.99 45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.991 1.432 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.505 ' HG2' ' HA ' ' A' ' 68' ' ' THR . 20.0 mm-40 37.73 37.25 0.11 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.964 1.415 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER 46.46 -163.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.432 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 2.6 t0 157.6 -47.55 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.971 1.419 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.24 -59.65 0.52 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -96.57 104.93 16.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.066 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -67.37 100.78 0.86 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.98 1.425 . . . . 0.0 109.323 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.48 136.68 7.52 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.468 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.25 165.18 29.12 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.922 1.389 . . . . 0.0 109.341 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.45 150.37 34.87 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 11.1 pt-20 -79.44 73.56 6.08 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.938 1.399 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 152.32 63.79 0.01 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -133.82 152.6 51.92 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.888 0.993 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.514 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -95.96 124.18 39.87 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.951 1.407 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' THR . 1.7 m -129.08 162.71 35.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.25 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB3' HG23 ' A' ' 68' ' ' THR . 1.2 t -116.98 126.33 52.75 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.027 1.455 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 5' ' ' MET . 2.8 p90 -116.33 -175.73 2.81 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.063 1.477 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.6 t -135.31 29.5 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.908 1.38 . . . . 0.0 109.248 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mt 40.07 86.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.032 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 1.5 mt-10 -102.38 166.22 10.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.077 1.486 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -104.71 139.28 39.76 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 124.933 1.396 . . . . 0.0 109.364 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.25 -110.21 2.06 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.25 -70.11 0.64 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.987 1.051 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -43.87 -42.26 5.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.985 1.428 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.54 -93.81 0.1 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 171.51 18.18 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.408 2.738 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . . . 175.93 86.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.201 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.511 ' H ' ' HB ' ' A' ' 30' ' ' VAL . . . -50.1 131.51 23.33 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 54' ' ' THR . . . -112.38 153.15 17.59 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 48.79 63.2 2.21 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.015 1.067 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 67' ' ' VAL . 30.9 m -86.75 103.63 13.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.019 1.449 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 52' ' ' SER . 0.1 OUTLIER -91.94 125.78 36.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 p -86.32 126.53 34.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.411 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.406 0 O-C-N 125.008 1.443 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -99.93 158.62 15.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.087 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.506 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 3.8 ptp -156.92 164.69 37.77 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.061 1.476 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -78.29 172.66 13.26 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.456 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . 162.26 127.93 0.91 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.46 141.28 15.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.029 1.076 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.518 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 2.6 p -98.9 135.45 33.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.441 . . . . 0.0 109.217 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' CE ' ' HA2' ' A' ' 48' ' ' GLY . 9.7 mttt -151.17 13.6 0.68 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.545 ' HB2' ' CB ' ' A' ' 20' ' ' PHE . 1.2 m-90 -143.18 29.14 1.48 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.52 ' HA ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.18 117.59 23.02 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.063 1.477 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -126.49 89.05 2.94 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.026 1.454 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.96 20.3 0.37 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.879 1.362 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -105.97 -65.11 1.09 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.107 1.504 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.02 -42.12 98.83 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.467 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 121.34 52.7 0.23 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 16.5 m-85 -170.76 168.55 7.3 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.12 1.129 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 12' ' ' PHE . . . -170.36 110.18 0.36 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -91.34 152.4 20.46 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.019 1.07 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.538 HD11 ' CG1' ' A' ' 67' ' ' VAL . 34.1 mt -132.67 161.63 41.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.834 1.334 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -115.45 117.79 40.24 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.979 1.424 . . . . 0.0 109.258 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 -159.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.432 2.754 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -133.27 -5.22 3.01 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -44.4 -84.22 0.01 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.033 1.458 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.45 53.96 0.41 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 76.37 127.06 0.04 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.065 1.097 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm 169.97 -172.03 0.03 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.006 1.441 . . . . 0.0 109.358 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.452 ' OD2' ' CE1' ' A' ' 20' ' ' PHE . 6.6 p-10 -153.66 113.6 3.89 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.67 128.85 44.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -78.72 145.65 34.36 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.009 1.443 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG1' ' C ' ' A' ' 31' ' ' PHE . 1.7 m -152.56 162.88 2.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.098 1.499 . . . . 0.0 109.216 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -116.31 138.14 51.57 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.068 1.48 . . . . 0.0 109.268 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' ALA . 6.5 p90 -61.87 -160.94 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.929 1.393 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 17.46 0.33 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' PHE . . . -127.23 10.9 6.9 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.468 . . . . 0.0 109.211 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 9.8 tt -77.92 179.86 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.604 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 20.9 mm-40 -91.95 32.21 1.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.007 1.442 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.91 171.61 0.07 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.96 1.413 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.9 t0 179.73 37.41 0.0 OUTLIER 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.984 1.428 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.59 -51.62 1.86 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -124.83 119.15 28.03 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.113 1.125 . . . . 0.0 109.285 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 94.4 0.02 OUTLIER 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.937 1.398 . . . . 0.0 109.247 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -166.54 160.94 15.72 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.937 1.398 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.644 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 2.7 tp -138.7 162.94 33.42 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.036 1.46 . . . . 0.0 109.366 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.0 103.86 13.39 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.943 1.402 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.97 103.53 0.07 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.074 1.484 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.499 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 115.95 51.01 0.42 Allowed Glycine 0 C--N 1.344 1.0 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.536 ' NE2' ' CG1' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -137.19 154.02 50.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.924 1.014 . . . . 0.0 109.243 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.91 126.8 33.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.951 1.407 . . . . 0.0 109.374 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.536 ' CG1' ' NE2' ' A' ' 49' ' ' GLN . 27.2 m -136.1 -162.42 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.15 -176.05 4.66 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.939 1.399 . . . . 0.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 47.8 p90 -170.29 163.92 8.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.7 t -113.94 60.02 0.67 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.087 1.492 . . . . 0.0 109.21 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER -27.84 132.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.014 1.446 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.07 119.89 28.78 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -94.67 127.83 40.92 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.036 1.46 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.05 -32.42 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.0 -152.41 0.51 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.035 1.079 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -112.63 82.89 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 154.65 131.8 1.54 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 117.18 4.79 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.447 2.765 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.46 154.92 12.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.057 1.473 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 54' ' ' THR . . . -174.79 -156.5 0.06 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.967 1.417 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' C ' HG22 ' A' ' 54' ' ' THR . . . -128.05 -142.64 5.5 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.494 ' OD1' HG21 ' A' ' 54' ' ' THR . 10.0 m120 56.87 55.76 5.94 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.065 . . . . 0.0 109.399 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -91.69 99.46 9.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.921 1.388 . . . . 0.0 109.293 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 4.1 t -119.34 151.3 38.7 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.934 1.396 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.3 p -86.82 130.99 34.24 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.043 1.464 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.98 1.425 . . . . 0.0 109.322 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -108.93 -155.68 0.56 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.953 1.031 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.482 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -88.36 150.93 22.93 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.431 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -77.75 168.99 19.06 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.122 1.514 . . . . 0.0 109.314 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 132.84 1.41 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.66 143.83 12.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.065 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 21' ' ' ILE . 2.4 p -83.73 142.06 13.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -34.49 6.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.025 1.453 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -139.9 133.87 30.82 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 125.046 1.466 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -138.0 118.91 14.24 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 0.0 109.254 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.575 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 12.2 m120 -138.1 57.06 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.99 1.431 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 34' ' ' PHE . . . -73.22 68.53 1.02 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.915 1.384 . . . . 0.0 109.339 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -168.67 -29.85 0.02 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.056 1.473 . . . . 0.0 109.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -100.77 -60.25 1.56 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.037 1.461 . . . . 0.0 109.263 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.494 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . -151.07 30.03 0.99 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CG ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER 83.23 -163.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.928 1.017 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.39 177.58 19.72 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -132.35 135.97 46.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.058 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 3.2 mt -108.74 158.99 8.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.08 110.22 34.83 Favored Pre-proline 0 C--O 1.241 0.628 0 O-C-N 124.992 1.433 . . . . 0.0 109.211 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 18.1 Cg_endo -75.08 168.26 25.17 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.481 2.787 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -114.53 -45.94 2.99 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.438 . . . . 0.0 109.194 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -96.24 -18.76 19.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 -86.94 0.08 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.05 1.088 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 8.2 mttp -104.38 -172.62 2.14 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.947 1.405 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -90.56 145.02 25.21 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.535 ' CG1' HG23 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -117.64 163.58 14.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 125.004 1.44 . . . . 0.0 109.316 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 3.2 p90 -90.1 152.0 21.34 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.037 1.461 . . . . 0.0 109.355 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -158.29 153.83 5.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.224 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.506 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 5.4 p80 -111.39 177.97 4.49 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 2.7 p90 -69.29 -22.33 63.81 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.997 1.435 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.506 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -77.71 39.06 0.27 Allowed 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.934 1.396 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -169.81 66.93 0.05 Allowed 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.064 1.478 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.586 ' CG2' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -143.64 60.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.962 1.413 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.878 ' NE2' ' H ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -41.55 99.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.011 1.444 . . . . 0.0 109.374 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 37' ' ' ILE . 42.7 p-10 -165.54 -144.0 0.07 Allowed 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.05 1.469 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-20 -35.17 -79.17 0.01 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.024 1.452 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.78 -38.17 0.24 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.503 ' O ' ' C ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -79.31 48.7 0.91 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.008 1.064 . . . . 0.0 109.266 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.586 ' HA ' ' CG2' ' A' ' 37' ' ' ILE . 0.0 OUTLIER 27.25 -136.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.071 1.482 . . . . 0.0 109.323 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.99 116.07 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD2' HG13 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -102.69 -157.32 0.6 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.082 1.489 . . . . 0.0 109.298 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -150.89 165.39 33.79 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.034 1.459 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -91.87 100.36 13.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.867 1.354 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.23 80.07 1.5 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' NE2' ' CB ' ' A' ' 69' ' ' SER . 47.4 tt0 -151.69 129.31 11.5 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.044 1.085 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.06 133.75 45.43 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.072 1.483 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.6 171.93 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.751 ' O ' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -124.19 126.62 46.44 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.567 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -144.78 -170.44 3.4 Favored 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.015 1.447 . . . . 0.0 109.326 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.81 HG22 ' O ' ' A' ' 65' ' ' GLY . 1.4 t -122.22 95.31 4.6 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.951 1.407 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.56 HG13 ' CE2' ' A' ' 53' ' ' PHE . 3.5 mp -70.95 67.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.058 1.474 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -179.73 127.45 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.0 t 66.67 140.11 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 0.0 109.342 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.534 ' HA3' ' CB ' ' A' ' 63' ' ' ALA . . . 175.88 -40.08 0.11 Allowed Glycine 0 C--N 1.346 1.134 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.77 -78.06 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.047 1.086 . . . . 0.0 109.379 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -63.2 1.4 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.085 1.491 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 62' ' ' PRO . . . -145.83 -96.26 0.19 Allowed Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.47 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.8 Cg_endo -74.93 135.95 19.9 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.532 2.821 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.534 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . . . -158.88 159.47 35.04 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.458 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -107.64 84.15 1.91 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.063 1.477 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.81 ' O ' HG22 ' A' ' 54' ' ' THR . . . -103.56 166.66 16.06 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 61.87 39.98 13.12 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.953 1.031 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.567 ' CG2' ' HB3' ' A' ' 53' ' ' PHE . 1.1 t -69.32 157.86 6.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 0.0 109.356 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -169.93 124.61 0.78 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.444 . . . . 0.0 109.374 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.426 ' CB ' ' NE2' ' A' ' 49' ' ' GLN . 56.3 p -66.93 132.44 47.97 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.042 1.464 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.346 0.432 0 O-C-N 124.924 1.39 . . . . 0.0 109.279 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.71 160.47 14.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.033 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.501 ' HG3' ' CD2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -138.75 155.4 48.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.45 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -89.74 166.73 13.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.977 1.423 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.31 135.52 1.83 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.76 164.72 2.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.063 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.538 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -104.23 129.03 57.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.035 1.459 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -102.9 -38.7 7.27 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -126.49 135.86 51.88 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.441 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.529 ' CD1' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -153.43 151.3 29.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.086 1.491 . . . . 0.0 109.221 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.57 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -160.44 87.53 0.77 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.071 1.482 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.1 59.56 1.39 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.887 1.367 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -167.88 -36.39 0.02 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.944 1.402 . . . . 0.0 109.234 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -93.05 -49.87 5.8 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.884 1.365 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.06 -90.92 0.08 OUTLIER Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -146.26 -172.07 3.86 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.071 . . . . 0.0 109.224 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.507 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -122.11 162.97 15.68 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -124.27 111.29 15.66 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 124.99 1.053 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -84.47 165.17 2.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.906 1.379 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.485 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.61 137.49 23.97 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 125.006 1.441 . . . . 0.0 109.269 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.551 ' CG ' ' H ' ' A' ' 28' ' ' LYS . 18.6 Cg_endo -75.02 -159.89 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.504 2.803 . . . . 0.0 111.013 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.709 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 1.9 p-10 -43.71 -27.57 0.33 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.709 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 27.6 t70 120.28 0.12 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 0.0 109.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.89 46.92 1.04 Allowed Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.63 -81.03 0.21 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.971 1.042 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' H ' ' CG ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER 169.91 139.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.982 1.426 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.76 135.11 49.35 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.966 1.416 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.96 128.11 60.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.052 1.47 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -88.29 144.28 26.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.982 1.426 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 1.1 p -160.17 151.15 5.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.112 1.507 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.648 ' CE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.7 OUTLIER -79.6 111.1 15.55 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.648 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 9.8 m-85 73.69 -24.24 0.21 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER 85.7 30.65 0.04 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.976 1.422 . . . . 0.0 109.276 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB3' ' H ' ' A' ' 67' ' ' VAL . . . 37.14 54.69 1.27 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.945 1.403 . . . . 0.0 109.35 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.434 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 0.5 OUTLIER -72.09 61.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.871 1.357 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.582 ' H ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -42.79 96.27 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 O-C-N 124.967 1.417 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -166.11 -173.44 2.6 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.926 1.391 . . . . 0.0 109.23 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -105.15 0.0 OUTLIER 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.018 1.449 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -68.64 72.46 0.36 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.532 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.9 p90 31.31 47.94 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.049 . . . . 0.0 109.349 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER 23.99 -136.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 0.0 109.247 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.17 164.36 7.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.997 1.436 . . . . 0.0 109.406 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' A' ' 12' ' ' PHE . 85.6 mt -135.04 142.74 46.43 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.883 1.364 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 p30 -116.71 27.81 8.94 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.95 1.406 . . . . 0.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 42.52 53.4 4.68 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.58 70.53 0.01 OUTLIER Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.646 HE21 ' CG1' ' A' ' 51' ' ' VAL . 12.9 pt20 -150.32 143.92 25.2 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.068 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 2.4 tttp -78.72 133.34 37.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.448 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.646 ' CG1' HE21 ' A' ' 49' ' ' GLN . 1.7 m -151.12 -175.44 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.01 1.443 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -130.89 173.69 10.72 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.024 1.452 . . . . 0.0 109.258 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD2' ' HG3' ' A' ' 5' ' ' MET . 0.1 OUTLIER -152.66 175.48 12.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.996 1.435 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.8 t -121.64 29.34 7.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.98 1.425 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt 60.83 160.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.034 1.458 . . . . 0.0 109.237 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -179.17 171.75 1.3 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.881 1.363 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.416 ' HA ' ' H ' ' A' ' 63' ' ' ALA . 1.3 t -152.34 133.4 14.24 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.916 1.385 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.1 -112.58 3.45 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.82 -75.18 0.58 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.994 1.056 . . . . 0.0 109.294 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -98.51 76.04 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.06 1.475 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.66 153.84 9.19 Favored Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 132.27 15.35 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.578 2.852 . . . . 0.0 111.011 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 56' ' ' GLU . . . -95.26 169.36 10.14 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -109.97 172.73 6.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.467 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.748 ' O ' HG22 ' A' ' 54' ' ' THR . . . -165.81 153.07 22.8 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 44.0 53.35 6.42 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.913 1.008 . . . . 0.0 109.24 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 52' ' ' SER . 0.2 OUTLIER -86.17 100.03 8.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.946 1.404 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.25 122.75 32.14 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.958 1.411 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.42 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 96.9 p -74.39 136.88 42.43 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.079 1.487 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.345 0.402 0 O-C-N 125.012 1.445 . . . . 0.0 109.327 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' A' ' 4' ' ' LYS . 8.9 mtmm -108.56 160.09 16.19 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.081 1.106 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.25 170.59 17.56 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.953 1.408 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -63.21 160.45 15.57 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.029 1.455 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 170.33 106.56 0.19 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.538 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -80.76 132.86 30.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.033 1.078 . . . . 0.0 109.335 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 46' ' ' ASP . 2.8 p -75.58 127.91 37.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 O-C-N 124.94 1.4 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 7.8 mttt -75.53 -84.76 0.05 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.915 1.384 . . . . 0.0 109.251 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.421 ' C ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -140.89 162.16 36.1 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.992 1.432 . . . . 0.0 109.314 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB3' ' CB ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -134.82 157.45 46.74 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.06 1.475 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.656 HD21 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -158.85 143.11 15.57 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -114.93 46.44 1.42 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.054 1.471 . . . . 0.0 109.22 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HB3' HD21 ' A' ' 13' ' ' ASN . 1.8 t70 -154.78 -64.8 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.256 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.656 ' H ' HD21 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -50.31 -49.89 52.29 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.053 1.471 . . . . 0.0 109.327 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.495 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 148.89 44.23 0.03 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.664 ' CD1' ' CD2' ' A' ' 33' ' ' HIS . 0.6 OUTLIER 83.88 -164.05 0.01 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.013 1.066 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.96 -159.39 8.92 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -137.6 160.5 39.01 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.027 1.075 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG2' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -113.49 169.35 5.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 125.007 1.442 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.554 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.92 113.45 7.67 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 125.046 1.466 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.77 6.83 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.583 2.855 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -36.89 0.23 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 125.029 1.455 . . . . 0.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' A' ' 27' ' ' SER . 43.8 t0 179.24 -111.98 0.0 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.006 1.441 . . . . 0.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.6 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . 66.19 -36.79 0.15 Allowed Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.611 ' H ' ' C ' ' A' ' 25' ' ' ASP . 4.9 t 100.31 155.76 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.902 1.001 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mttm 80.14 -169.64 0.04 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -152.62 139.34 18.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.98 121.97 44.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.04 1.462 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.16 155.04 0.05 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 0.0 109.267 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.439 HG11 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -156.42 149.84 10.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.969 1.418 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 18' ' ' PHE . 38.2 t-80 -151.51 158.27 43.38 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.046 1.466 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 33' ' ' HIS . 6.5 p90 -61.75 174.69 0.76 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.112 1.508 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.2 t 95.0 -38.49 0.01 OUTLIER 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.935 1.397 . . . . 0.0 109.215 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.25 14.17 30.83 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.011 1.445 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.1 pt -92.96 60.23 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.996 1.435 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.527 ' NE2' ' H ' ' A' ' 38' ' ' GLN . 3.3 mp0 -41.44 95.78 0.01 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.903 1.377 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.6 t-20 -153.76 44.94 0.6 Allowed 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.936 1.398 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.1 t70 60.12 -95.26 0.05 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.914 1.384 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.549 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -128.17 -91.31 0.7 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.1 t80 31.26 52.1 0.16 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.07 . . . . 0.0 109.265 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 139.56 1.46 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.999 1.437 . . . . 0.0 109.317 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 79.46 118.04 0.06 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.91 1.381 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD13 ' H ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -140.49 -170.25 2.96 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.094 1.496 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.647 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 2.1 t0 84.23 157.07 0.1 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.075 1.484 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.7 tt0 138.11 5.65 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.07 49.29 0.42 Allowed Glycine 0 C--N 1.346 1.103 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -106.46 161.29 14.73 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.038 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -108.03 108.34 19.4 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.981 1.425 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 52' ' ' SER . 1.8 m -126.36 -167.63 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.896 1.372 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 51' ' ' VAL . 3.1 m -124.26 178.16 5.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.963 1.414 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 3.8 p90 -166.49 -177.86 4.19 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.939 1.399 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -139.6 85.26 2.03 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.487 HG13 ' CE1' ' A' ' 53' ' ' PHE . 23.1 mt -38.62 107.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.918 1.386 . . . . 0.0 109.241 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.88 -170.49 2.19 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -133.84 126.42 30.47 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.855 1.347 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.93 -89.35 1.91 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.249 -1.541 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.95 -77.99 0.59 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.078 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.86 76.66 1.74 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.052 1.47 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.07 159.96 8.46 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 162.46 36.73 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.466 2.777 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.18 148.78 27.3 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.998 1.436 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.96 117.13 34.39 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.007 1.442 . . . . 0.0 109.256 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.633 ' O ' HG22 ' A' ' 54' ' ' THR . . . -112.02 169.95 13.37 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 43.31 58.19 3.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.978 1.046 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.02 99.8 7.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.96 1.413 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.1 136.86 46.23 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.985 1.428 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.427 ' HA ' HG12 ' A' ' 51' ' ' VAL . 2.4 p -44.6 161.31 0.03 OUTLIER 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.915 1.385 . . . . 0.0 109.223 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.382 0 O-C-N 125.09 1.494 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.67 155.6 22.18 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.034 1.079 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.527 ' HG3' ' CD1' ' A' ' 53' ' ' PHE . 2.9 ptp -140.44 147.95 40.45 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.041 1.463 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.3 p -59.83 144.28 48.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.941 1.401 . . . . 0.0 109.212 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 122.51 0.88 Allowed Glycine 0 C--N 1.347 1.15 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.72 ' O ' HG22 ' A' ' 22' ' ' THR . 0.3 OUTLIER -99.06 135.13 35.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.931 1.018 . . . . 0.0 109.373 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' H ' ' A' ' 48' ' ' GLY . 7.8 p -74.72 128.8 36.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.965 1.416 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -88.19 -79.31 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.511 ' CD1' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -136.36 170.54 15.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 29.2 p90 -176.66 114.71 0.11 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.937 1.398 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.499 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 5.2 m-80 -81.8 118.08 22.6 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.977 1.423 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.48 26.07 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -106.54 -45.8 4.16 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.098 1.498 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.499 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.5 -37.02 21.82 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.461 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 106.89 69.0 0.69 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 92.7 m-85 -161.1 149.44 15.94 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.041 1.083 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.59 155.3 22.99 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -142.94 123.53 14.06 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.055 1.091 . . . . 0.0 109.354 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.65 145.92 23.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.047 1.467 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 8' ' ' ILE . 11.1 t -113.13 142.69 27.8 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.993 1.433 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HG2' ' H ' ' A' ' 27' ' ' SER . 18.5 Cg_endo -74.97 -160.28 0.1 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.94 -37.38 1.72 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.965 1.415 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -97.3 -29.31 13.62 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.026 1.454 . . . . 0.0 109.333 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.59 -115.67 0.07 OUTLIER Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.403 ' H ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER 175.65 -70.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.989 1.052 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 162.36 0.54 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.066 1.479 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.61 137.64 41.39 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 125.044 1.465 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 m -90.71 154.56 3.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.907 1.38 . . . . 0.0 109.253 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 18.7 p90 -89.21 140.83 29.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -160.56 166.63 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.914 1.384 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.643 ' CE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -111.78 82.08 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.455 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.643 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 2.3 m-85 77.78 -25.84 0.19 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.016 1.448 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.514 ' HB3' HG21 ' A' ' 67' ' ' VAL . 22.7 t 76.22 19.5 1.75 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.3 56.53 7.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.521 ' H ' HD13 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -52.67 -179.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.034 1.459 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -117.27 61.43 0.74 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -128.56 160.1 33.45 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.1 -45.38 2.56 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -138.66 0.15 Allowed Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.16 120.42 7.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.071 . . . . 0.0 109.305 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -141.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.969 1.418 . . . . 0.0 109.381 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.54 164.65 0.09 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.057 1.473 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -105.27 -139.88 0.37 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.005 1.44 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.44 23.72 7.46 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 1.4 tt0 37.37 84.21 0.02 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.068 1.48 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.509 ' H ' HG13 ' A' ' 9' ' ' VAL . . . 99.13 90.12 2.0 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 25.6 tt0 -160.67 146.03 14.58 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.985 1.05 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -89.35 124.98 34.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.995 1.434 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.467 HG21 ' HB ' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -150.23 173.51 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 125.049 1.468 . . . . 0.0 109.359 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.95 106.7 18.99 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.0 1.438 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 0.5 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 66' ' ' ASN . 1.6 p -129.41 100.59 5.62 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.009 1.443 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 ' CE2' ' A' ' 53' ' ' PHE . 8.9 mt -42.44 157.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.914 1.384 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -132.33 127.98 36.71 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.051 1.469 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -122.0 113.94 20.27 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.897 1.373 . . . . 0.0 109.354 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.66 -41.85 0.33 Allowed Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.19 -74.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.063 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -40.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.963 1.414 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.61 -169.98 12.59 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.48 2.787 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . . . -139.92 178.16 7.45 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.949 1.405 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.508 ' H ' ' HB ' ' A' ' 32' ' ' VAL . . . -96.39 -153.05 0.4 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.995 1.434 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.426 ' O ' ' OG1' ' A' ' 54' ' ' THR . . . 149.33 133.72 2.24 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.538 ' O ' HG23 ' A' ' 54' ' ' THR . 71.8 m-20 56.54 109.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.081 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 35' ' ' SER . 0.9 OUTLIER -139.42 122.23 17.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 124.985 1.428 . . . . 0.0 109.219 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.33 119.44 34.65 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.995 1.435 . . . . 0.0 109.256 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.402 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 10.6 p -47.51 134.7 11.85 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.967 1.417 . . . . 0.0 109.218 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.985 1.428 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -164.68 1.11 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.004 1.061 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.4 ptp -165.37 157.25 14.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.41 . . . . 0.0 109.338 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -90.4 149.74 22.14 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.061 1.475 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.46 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -158.76 -155.02 7.43 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.479 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -149.37 140.72 17.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.986 1.05 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.31 136.3 27.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.047 1.467 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.19 -63.73 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.032 1.457 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.78 162.15 25.75 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.977 1.423 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -168.52 146.4 4.08 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.019 1.449 . . . . 0.0 109.347 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.5 ' CG ' ' CD ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -123.61 146.99 47.76 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.028 1.455 . . . . 0.0 109.342 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 34' ' ' PHE . . . -105.82 -53.38 2.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.448 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -63.65 -6.02 4.83 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.076 1.485 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.5 ' CD ' ' CG ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -130.79 -19.59 2.94 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.918 1.386 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 13' ' ' ASN . . . 54.33 73.68 0.39 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -130.68 31.04 4.59 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.049 . . . . 0.0 109.391 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.497 ' HA2' ' HB2' ' A' ' 12' ' ' PHE . . . -37.69 101.55 0.01 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.62 109.83 22.52 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.067 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.496 HG21 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -100.95 176.18 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.025 1.453 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.463 ' H ' HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -142.65 105.29 5.39 Favored Pre-proline 0 C--O 1.241 0.626 0 O-C-N 124.953 1.408 . . . . 0.0 109.237 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.31 0.23 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.501 2.801 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -136.59 -1.03 2.32 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 125.033 1.458 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.67 -44.62 9.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.35 44.14 0.05 OUTLIER Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.36 126.05 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.023 1.072 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 172.48 -172.78 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.13 1.519 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.54 124.79 5.69 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.432 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 3.0 m -101.76 111.64 32.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.95 1.406 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -90.41 124.65 35.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.042 1.463 . . . . 0.0 109.22 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' CG2' ' HA ' ' A' ' 35' ' ' SER . 1.2 p -160.5 156.38 3.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.02 1.45 . . . . 0.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -64.97 83.92 0.04 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.998 1.437 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 12' ' ' PHE . 18.1 m-30 49.89 28.86 3.02 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.086 1.491 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.553 ' CB ' HG23 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 37.84 33.01 0.04 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.024 1.452 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.26 64.6 1.17 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.051 1.469 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -47.22 178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 0.0 109.248 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 67' ' ' VAL . 21.5 mm-40 -105.25 32.02 4.51 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.892 1.37 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.476 HD22 ' C ' ' A' ' 42' ' ' TYR . 13.0 p-10 -82.13 -176.55 6.22 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -154.46 32.45 0.42 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.093 1.496 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.39 -34.7 0.28 Allowed Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.551 ' C ' ' H ' ' A' ' 44' ' ' SER . 5.3 m-85 -101.21 88.0 3.38 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.99 1.053 . . . . 0.0 109.303 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CE ' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.95 17.72 0.07 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.04 1.462 . . . . 0.0 109.35 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.551 ' H ' ' C ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -101.23 144.26 30.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.955 1.409 . . . . 0.0 109.328 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 tp -116.2 173.41 6.6 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.98 1.425 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.69 89.72 6.28 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.052 1.47 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 7.5 pt-20 -50.23 98.42 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.956 1.41 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.04 72.79 1.21 Allowed Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -154.73 155.31 34.32 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.047 1.086 . . . . 0.0 109.252 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -76.74 114.01 15.03 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.119 1.512 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.64 145.91 26.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.405 ' CB ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -92.74 174.82 7.06 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.496 ' CE2' HG21 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -170.24 -177.56 2.53 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.942 1.401 . . . . 0.0 109.383 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.0 t -113.47 69.39 0.7 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.068 1.48 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.9 OUTLIER -34.69 119.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.05 1.469 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.41 140.27 20.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.063 1.477 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 80.02 140.03 0.07 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.5 -167.41 24.99 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . 59.1 103.53 0.02 OUTLIER 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.961 1.036 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.0 tptp 96.38 -43.63 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.37 101.82 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 165.56 30.94 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.549 2.833 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.66 -173.84 4.52 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.395 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.67 -158.96 0.9 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.003 1.439 . . . . 0.0 109.302 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.737 ' O ' HG22 ' A' ' 54' ' ' THR . . . 174.28 173.14 40.06 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 41.78 77.75 0.05 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.951 1.03 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -93.02 161.62 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.928 1.392 . . . . 0.0 109.351 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -145.56 119.21 9.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.064 1.477 . . . . 0.0 109.334 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.63 127.17 31.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.344 0.352 0 O-C-N 124.975 1.422 . . . . 0.0 109.27 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 161.92 1.82 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.056 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.536 ' CE ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -117.02 156.26 27.82 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -76.84 147.85 36.89 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.062 1.476 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.592 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . -163.14 106.88 0.29 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -84.59 125.43 40.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.949 1.029 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.603 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 3.3 p -65.06 143.8 15.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.869 1.356 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 15.8 mmtt -126.63 -66.12 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.995 1.434 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.97 71.95 1.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.993 1.433 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.706 ' CG ' ' O ' ' A' ' 12' ' ' PHE . 1.6 p90 -103.85 51.65 0.78 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.986 1.429 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -37.63 97.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.861 1.351 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 62.38 0.93 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.948 1.405 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -159.53 -72.07 0.08 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.044 1.465 . . . . 0.0 109.338 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 3.8 ptmt -130.8 -40.76 1.19 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . -52.37 -15.87 3.08 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 12.0 m-85 78.67 -159.42 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.0 1.059 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA2' ' HB2' ' A' ' 12' ' ' PHE . . . -109.05 142.0 16.06 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HE1' ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -149.94 113.85 5.09 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.893 0.996 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 22' ' ' THR . 66.5 mt -114.0 164.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -109.47 116.82 54.09 Favored Pre-proline 0 C--O 1.238 0.494 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD3' HG12 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.85 -159.48 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.557 2.838 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 25' ' ' ASP . 18.9 p-10 -147.2 -11.04 0.43 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.889 1.368 . . . . 0.0 109.179 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 24' ' ' ASP . 59.1 m-20 -130.02 -72.52 0.57 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.908 1.38 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.19 84.06 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p 57.72 -150.77 0.43 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.947 1.028 . . . . 0.0 109.352 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -138.16 48.03 1.98 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.878 1.361 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.434 ' CB ' ' HE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -162.52 145.88 11.41 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.098 1.499 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG12 ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -163.55 109.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.069 1.481 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.536 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -68.61 143.51 54.82 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.968 1.418 . . . . 0.0 109.243 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.591 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -145.78 170.94 5.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.949 1.406 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.591 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.4 m-70 -136.82 142.51 42.89 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 125.048 1.467 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -57.6 -171.85 0.01 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m 68.03 6.72 5.36 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.949 1.405 . . . . 0.0 109.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 -18.58 9.0 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.937 1.398 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -71.07 60.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 35.6 40.3 0.08 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.447 . . . . 0.0 109.258 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 4.6 p-10 42.39 -160.39 0.01 OUTLIER 'General case' 0 C--O 1.242 0.658 0 O-C-N 125.054 1.471 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER 145.63 -52.24 0.01 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.901 1.376 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.06 -76.64 0.31 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -67.98 119.98 13.49 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.075 1.103 . . . . 0.0 109.267 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -40.73 101.72 0.02 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.44 . . . . 0.0 109.321 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.869 ' O ' ' O ' ' A' ' 45' ' ' LEU . 63.4 m -68.53 -154.81 0.02 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.985 1.428 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.869 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 32.18 117.95 0.0 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.953 1.408 . . . . 0.0 109.322 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.0 47.12 1.43 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.038 1.461 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 72.28 89.64 0.1 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 0.0 109.337 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.459 ' H ' HG13 ' A' ' 9' ' ' VAL . . . 106.78 100.27 2.65 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.9 tt0 -172.13 127.82 0.58 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 125.074 1.102 . . . . 0.0 109.358 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HG3' ' HZ2' ' A' ' 50' ' ' LYS . 6.5 tttp -75.56 123.33 25.3 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.49 ' HA ' ' H ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -145.09 145.46 20.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 125.06 1.475 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.53 137.91 31.9 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.056 1.472 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -129.12 -164.99 1.45 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.939 1.4 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.2 t -127.1 64.29 1.31 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 0.0 109.267 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.492 HG13 ' CE1' ' A' ' 53' ' ' PHE . 8.7 mt -38.38 114.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.997 1.435 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.34 163.68 31.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.228 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -105.44 135.67 46.4 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.921 1.388 . . . . 0.0 109.246 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.49 161.91 30.8 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 59.42 -86.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.904 1.002 . . . . 0.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 -42.33 0.18 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.03 -162.61 32.08 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -177.39 3.41 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.578 2.852 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . . . -167.96 161.58 12.94 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.09 1.494 . . . . 0.0 109.311 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.503 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -112.19 -147.43 0.42 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.907 1.379 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.595 ' O ' HG22 ' A' ' 54' ' ' THR . . . 133.45 170.06 12.3 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.9 m-20 26.79 80.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.953 1.031 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.45 HG22 ' HB3' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -103.98 153.36 6.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 121.79 6.79 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.936 1.398 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.594 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -51.71 123.86 11.08 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 0.0 109.232 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.345 0.389 0 O-C-N 124.909 1.38 . . . . 0.0 109.259 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -85.94 -178.91 6.69 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.057 1.092 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.439 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -70.68 126.15 28.81 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.056 1.472 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -83.92 157.97 21.75 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.082 1.488 . . . . 0.0 109.205 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CE1' ' A' ' 53' ' ' PHE . . . 175.56 138.46 2.81 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.501 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.89 166.66 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 124.971 1.042 . . . . 0.0 109.221 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.566 ' HB ' ' CG ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.39 146.41 15.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.013 1.446 . . . . 0.0 109.309 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -115.79 -58.96 2.05 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.936 1.398 . . . . 0.0 109.22 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.17 131.05 53.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.061 1.476 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.98 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -107.49 152.92 23.58 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.524 ' C ' ' CE2' ' A' ' 34' ' ' PHE . 6.1 m-80 -142.86 105.63 4.51 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.993 1.433 . . . . 0.0 109.264 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.484 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -105.41 10.12 33.45 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.942 1.401 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.59 -31.52 41.82 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.03 1.456 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -130.39 -19.66 3.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.988 1.43 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.06 64.88 1.34 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.9 m-85 -145.41 35.13 1.07 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.09 . . . . 0.0 109.28 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 34' ' ' PHE . . . -33.57 130.05 0.39 Allowed Glycine 0 C--N 1.344 1.015 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.62 110.45 21.6 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.046 1.086 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.584 HG13 ' CG1' ' A' ' 32' ' ' VAL . 1.2 mt -100.7 163.42 3.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.032 1.458 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -128.04 112.52 20.16 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.92 1.388 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -175.55 2.39 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.523 2.815 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -94.94 -39.5 10.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.466 . . . . 0.0 109.254 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -165.04 -1.88 0.03 OUTLIER 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.068 1.48 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.52 76.75 2.2 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.85 -164.15 0.04 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.096 . . . . 0.0 109.323 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.95 -169.9 1.62 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.032 1.457 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.27 128.8 4.8 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.007 1.442 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -119.04 141.17 40.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.422 . . . . 0.0 109.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 17.4 p90 -89.98 151.85 21.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.584 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -153.17 145.71 14.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.935 1.397 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.437 ' C ' ' H ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -80.62 132.26 35.6 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.024 1.453 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.98 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 19.0 m-30 -71.54 44.8 0.1 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.044 1.465 . . . . 0.0 109.233 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 33' ' ' HIS . 2.0 t -108.29 -2.55 19.16 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.075 1.484 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 24.11 3.94 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.96 1.413 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 60.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.914 1.383 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.446 ' H ' HE21 ' A' ' 38' ' ' GLN . 0.5 OUTLIER -42.68 97.72 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.436 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 162.16 102.0 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.981 1.425 . . . . 0.0 109.262 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -86.84 122.89 31.34 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.063 1.477 . . . . 0.0 109.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.89 -142.56 7.46 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -58.32 120.28 8.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.965 1.038 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -68.62 72.44 0.22 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.995 1.434 . . . . 0.0 109.362 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -170.1 129.09 0.9 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -167.5 1.64 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.044 1.465 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.566 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 3.0 m-20 58.6 -176.44 0.08 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.988 1.43 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 29.6 tt0 89.48 29.28 0.02 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.82 73.67 1.27 Allowed Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.179 -1.569 . . . . 0.0 109.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HG3' ' CG1' ' A' ' 51' ' ' VAL . 1.4 tp-100 -148.54 124.54 10.68 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.998 1.058 . . . . 0.0 109.389 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -81.77 114.52 20.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.957 1.411 . . . . 0.0 109.306 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.426 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 2.7 m -120.74 -168.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.886 1.366 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.15 140.88 25.7 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.024 1.453 . . . . 0.0 109.371 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -134.34 -157.21 0.79 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.005 1.441 . . . . 0.0 109.414 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.6 t -143.28 27.69 1.56 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.054 1.471 . . . . 0.0 109.385 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.524 ' CG2' ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER 52.42 169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.932 1.395 . . . . 0.0 109.21 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.1 mm-40 -145.26 -139.57 0.1 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.89 1.369 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 80.29 104.4 0.07 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.002 1.438 . . . . 0.0 109.204 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.02 -34.07 1.42 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.82 -41.17 3.62 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.994 1.055 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' HG2' ' H ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -179.2 -58.42 0.01 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.085 1.49 . . . . 0.0 109.348 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.457 ' H ' ' HG2' ' A' ' 60' ' ' LYS . . . -52.63 112.04 1.92 Allowed Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.488 ' O ' ' CZ ' ' A' ' 31' ' ' PHE . 18.6 Cg_endo -74.87 162.17 37.82 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.568 2.845 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . . . -174.41 -160.31 0.1 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.284 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -145.02 147.91 33.14 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.919 1.387 . . . . 0.0 109.357 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.605 ' O ' HG22 ' A' ' 54' ' ' THR . . . -126.69 160.78 21.04 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.244 -1.543 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 46.86 64.73 1.43 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.056 . . . . 0.0 109.355 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.82 112.98 25.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.374 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.88 136.26 54.13 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.995 1.434 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 p -70.52 127.61 33.31 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.957 1.41 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.975 1.422 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 162.55 15.67 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.015 1.067 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -112.29 136.61 51.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.99 1.431 . . . . 0.0 109.274 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 31.6 p -79.85 161.2 25.75 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.927 1.392 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.515 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 174.46 127.64 1.02 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.559 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -91.49 144.48 9.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.047 1.086 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -104.13 160.34 4.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.066 1.479 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 9.7 mtmt -158.46 -23.3 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.942 1.402 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 10' ' ' LYS . 7.9 m-90 -94.92 25.21 4.26 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.036 1.46 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CZ ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -80.25 136.65 36.5 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.013 1.446 . . . . 0.0 109.357 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -143.14 115.04 8.25 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 0.0 109.288 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.18 22.66 13.67 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.033 1.458 . . . . 0.0 109.224 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.585 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 3.0 t0 -88.23 -45.15 10.31 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.6 -30.42 9.03 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 109.53 55.0 0.56 Allowed Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.447 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 23.1 m-85 -169.21 157.46 7.66 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.001 1.059 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.91 -179.23 47.16 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 31' ' ' PHE . 10.0 m-85 -137.47 161.15 37.13 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.084 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.53 ' HB ' ' CG2' ' A' ' 30' ' ' VAL . 2.6 mt -122.08 158.8 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.038 1.461 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.4 113.92 36.63 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.064 1.478 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 104.02 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.506 2.804 . . . . 0.0 110.996 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -48.65 -36.74 16.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -82.32 -35.38 27.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.031 1.457 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.502 ' H ' ' HB2' ' A' ' 23' ' ' PRO . . . -84.08 -135.24 2.87 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.0 p -169.41 -40.8 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.06 . . . . 0.0 109.374 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.24 -169.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -129.68 112.03 13.26 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.988 1.43 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.53 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 27.4 m -78.01 132.09 33.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 125.002 1.438 . . . . 0.0 109.381 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 1.9 p90 -85.9 133.75 33.93 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.02 1.45 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -150.56 166.2 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.01 1.443 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -111.6 128.58 56.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.962 1.414 . . . . 0.0 109.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.453 ' CE1' ' HE3' ' A' ' 43' ' ' LYS . 97.2 m-85 56.38 23.97 7.91 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.079 1.487 . . . . 0.0 109.293 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.465 ' O ' HG21 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 73.01 24.18 2.58 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 37.23 35.43 0.05 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.05 1.469 . . . . 0.0 109.25 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.551 ' CG2' HD13 ' A' ' 45' ' ' LEU . 4.3 pt -53.72 179.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.053 1.47 . . . . 0.0 109.289 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.11 41.74 1.42 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.97 151.09 19.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.064 1.477 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.37 117.09 15.79 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.022 1.451 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 63.03 -98.0 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.541 ' C ' ' O ' ' A' ' 41' ' ' GLY . 7.4 m-85 31.1 72.63 0.06 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.053 . . . . 0.0 109.28 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 2.2 mmtm -59.92 91.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.917 1.385 . . . . 0.0 109.229 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.868 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -113.92 -156.14 0.59 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.976 1.423 . . . . 0.0 109.366 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.868 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 32.28 118.15 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.929 1.393 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -84.83 -152.99 0.15 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 3.5 pt-20 -99.33 80.11 2.38 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.65 65.62 0.04 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 5.9 mt-30 -135.77 141.99 44.87 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.091 1.112 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -91.57 121.95 33.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 125.006 1.441 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.37 165.7 20.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -102.69 119.31 38.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.636 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -106.01 -166.7 1.22 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 0.0 109.251 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.8 t -121.76 29.4 7.16 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.472 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.64 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.0 mt 5.31 93.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.425 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.63 170.49 15.72 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.096 1.498 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 p -115.23 139.79 49.65 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.965 1.416 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.39 -88.52 1.25 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -133.2 85.7 2.24 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.97 1.041 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 85.92 -31.68 0.05 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.55 175.27 19.42 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.02 -175.83 2.57 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.569 2.846 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.87 163.84 0.35 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.014 1.446 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -119.58 -149.13 0.43 Allowed 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.971 1.419 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.863 ' O ' ' HB2' ' A' ' 66' ' ' ASN . . . 131.42 94.28 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.863 ' HB2' ' O ' ' A' ' 65' ' ' GLY . 77.0 m-20 102.48 69.89 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.075 1.103 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.636 ' CG1' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -113.22 132.88 60.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 125.097 1.498 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.97 119.98 38.36 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.017 1.448 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -52.14 148.31 6.47 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.079 1.487 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.405 ' HG ' ' HD2' ' A' ' 50' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.992 1.432 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 162.24 17.73 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.003 1.061 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.404 ' SD ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -138.97 144.98 39.19 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -82.25 158.59 23.45 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.433 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.499 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.02 130.03 1.29 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.59 144.96 8.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.051 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.496 HG23 ' CG1' ' A' ' 21' ' ' ILE . 3.5 p -86.37 146.43 6.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.044 1.465 . . . . 0.0 109.433 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mttt -116.94 -37.25 3.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -152.01 146.3 25.47 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.295 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 172.35 154.09 0.08 Allowed 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.928 1.392 . . . . 0.0 109.352 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.768 ' H ' ' CA ' ' A' ' 18' ' ' PHE . 5.6 t-20 78.4 -169.67 0.05 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.934 1.396 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.659 ' C ' ' H ' ' A' ' 16' ' ' LYS . . . 44.35 18.61 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' N ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER 63.61 -14.95 0.07 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.976 1.423 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.659 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -50.92 -22.91 2.48 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.946 1.404 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' PHE . . . -174.89 -14.81 0.02 OUTLIER Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.768 ' CA ' ' H ' ' A' ' 13' ' ' ASN . 5.5 m-85 63.8 -78.68 0.03 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.025 1.074 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.486 ' CA ' HG13 ' A' ' 32' ' ' VAL . . . -124.22 113.55 2.06 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -151.38 108.84 3.61 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.07 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CG1' HG23 ' A' ' 9' ' ' VAL . 11.5 mt -124.39 159.92 29.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.427 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -130.02 139.78 36.66 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.032 1.458 . . . . 0.0 109.253 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.3 Cg_endo -75.06 -177.6 3.6 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.471 2.781 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -41.42 -34.62 0.56 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 0.0 109.396 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 26' ' ' GLY . 2.4 p-10 173.82 -110.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . 62.95 -79.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.081 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.4 OUTLIER 159.53 170.67 0.01 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.041 1.083 . . . . 0.0 109.429 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 65.76 -175.11 0.18 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.968 1.417 . . . . 0.0 109.313 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -160.04 129.56 5.21 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.0 1.437 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 30' ' ' VAL . 1.9 m -71.86 119.77 18.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.117 1.511 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -85.62 162.43 18.84 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.441 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -160.51 170.02 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.44 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.56 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.9 t60 -142.24 145.48 34.12 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.011 1.444 . . . . 0.0 109.398 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.545 ' O ' ' CB ' ' A' ' 35' ' ' SER . 7.4 m-85 -42.44 158.7 0.03 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.934 1.396 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.3 t 94.95 -14.32 0.1 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.42 14.95 7.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.685 HG12 ' H ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.94 179.66 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.685 ' H ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -118.39 99.36 6.79 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 178.02 159.13 0.48 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.985 1.428 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -143.57 122.26 12.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.034 1.459 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 85.6 143.81 7.04 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 31.11 62.74 0.22 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.952 1.03 . . . . 0.0 109.246 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HG3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.51 105.28 4.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.952 1.408 . . . . 0.0 109.332 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -170.25 129.35 0.89 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.0 1.438 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 8.0 tp -101.56 173.81 6.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.78 124.18 48.43 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.017 1.448 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.6 107.5 0.22 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.911 1.382 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 85.57 1.88 Allowed Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 50' ' ' LYS . 38.2 tt0 -160.81 162.42 32.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.087 1.11 . . . . 0.0 109.244 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -91.38 118.71 30.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.985 1.428 . . . . 0.0 109.223 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 69' ' ' SER . 4.4 m -127.64 -161.57 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.953 1.408 . . . . 0.0 109.358 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.524 ' HB2' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -144.77 176.82 9.16 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.046 1.466 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.499 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -168.76 -156.6 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.985 1.428 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.4 t -152.48 29.61 0.54 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.013 1.445 . . . . 0.0 109.255 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' THR . 5.5 mt 31.07 90.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.519 ' HG2' ' H ' ' A' ' 65' ' ' GLY . 1.7 mm-40 -65.81 -139.01 0.0 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.976 1.422 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.544 ' CA ' ' HA ' ' A' ' 62' ' ' PRO . 1.3 p 80.94 120.53 0.05 OUTLIER 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.977 1.423 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.43 ' H ' ' H ' ' A' ' 59' ' ' ALA . . . -161.26 -19.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -122.96 27.09 7.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.989 1.052 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 90.8 -19.03 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.03 1.456 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.29 106.44 2.76 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HA ' ' CA ' ' A' ' 57' ' ' SER . 18.1 Cg_endo -75.05 175.18 11.58 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.562 2.841 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 56' ' ' GLU . . . 177.36 -161.53 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 O-C-N 124.947 1.405 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.564 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -138.71 102.02 4.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' C ' ' A' ' 66' ' ' ASN . . . -97.27 -177.28 34.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 125.13 1.519 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.525 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.6 m-20 25.69 57.97 0.06 Allowed 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.966 1.039 . . . . 0.0 109.259 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -85.03 168.23 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.529 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -167.19 129.76 1.71 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.048 1.468 . . . . 0.0 109.34 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.506 ' CB ' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.87 130.77 35.22 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 C--N 1.345 0.386 0 O-C-N 125.044 1.465 . . . . 0.0 109.335 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -87.37 -169.9 2.81 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.97 1.041 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.437 ' CG ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -122.03 143.97 49.18 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.024 1.452 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.9 p -83.5 139.55 32.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.993 1.433 . . . . 0.0 109.245 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.507 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . -172.6 113.81 0.49 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.623 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -73.58 138.83 20.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.065 . . . . 0.0 109.353 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -94.24 145.3 8.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.05 1.469 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -92.18 -48.39 6.73 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.997 1.435 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.583 ' CZ3' ' CG ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -122.63 164.61 17.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.415 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -174.36 117.06 0.21 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.986 1.429 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -146.06 138.98 25.73 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.961 1.413 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.523 ' CB ' ' CE1' ' A' ' 34' ' ' PHE . . . -107.84 33.36 4.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.076 1.485 . . . . 0.0 109.429 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -56.33 1.05 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.924 1.39 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.686 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.49 -60.89 3.13 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.017 1.448 . . . . 0.0 109.349 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 166.03 62.81 0.03 OUTLIER Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 33' ' ' HIS . 0.3 OUTLIER 72.15 -159.69 0.11 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.093 1.114 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.93 -177.87 24.35 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CG ' ' CZ3' ' A' ' 11' ' ' TRP . 4.5 m-85 -115.46 140.63 48.97 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.968 1.04 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.564 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.8 mt -98.48 164.39 2.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.471 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -125.88 90.35 50.55 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.039 1.462 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 141.64 27.25 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.833 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.1 p-10 -58.87 -92.64 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.025 1.453 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.444 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.4 m-20 39.24 -101.73 0.03 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.08 1.488 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -139.45 38.32 1.65 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.5 p 91.19 -159.94 0.01 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.031 1.077 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' SER . 1.1 tttt 95.46 -176.06 0.01 OUTLIER 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.0 1.438 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.419 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 1.2 p30 -160.1 156.68 27.23 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.94 1.4 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -131.75 152.03 36.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.002 1.439 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.13 128.01 36.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.211 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.564 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -160.64 158.8 2.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -109.3 -156.52 0.59 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.952 1.407 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 14' ' ' ALA . 1.4 p90 -117.7 23.49 11.68 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 1.6 t -98.97 -17.26 18.41 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.96 1.413 . . . . 0.0 109.282 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.32 14.46 22.3 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.97 1.419 . . . . 0.0 109.234 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pp -72.32 -179.73 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.038 1.461 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.699 HE21 ' HB ' ' A' ' 68' ' ' THR . 2.8 mp0 -129.38 81.62 2.03 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -169.5 154.21 5.52 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -126.93 91.58 3.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.472 . . . . 0.0 109.371 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.24 -104.26 0.27 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 44' ' ' SER . 7.2 t80 -67.61 84.82 0.19 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.123 1.131 . . . . 0.0 109.281 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 84.53 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.443 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 27.1 m -170.12 148.7 3.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.908 1.38 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.2 mt -114.46 -162.48 0.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.003 1.439 . . . . 0.0 109.364 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.36 130.57 40.89 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.061 1.476 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 119.06 8.52 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.083 1.489 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.69 67.76 1.38 Allowed Glycine 0 C--N 1.347 1.164 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.623 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -152.1 138.23 18.28 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.071 . . . . 0.0 109.206 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' CB ' HG22 ' A' ' 8' ' ' ILE . 15.1 tttp -68.89 126.1 28.71 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.98 1.425 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 1.7 m -124.61 140.72 46.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.8 p -85.23 67.65 10.23 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.753 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 9.5 p90 -73.6 -163.96 0.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 66' ' ' ASN . 2.3 t -158.37 72.3 0.61 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.969 1.418 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.534 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -24.4 126.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.94 1.4 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -141.16 -170.6 3.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.058 1.474 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.15 140.1 18.25 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.97 1.419 . . . . 0.0 109.377 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.65 40.4 2.11 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.321 -1.511 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 43.63 44.14 5.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.947 1.028 . . . . 0.0 109.231 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 61.88 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.045 1.466 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.18 155.32 31.88 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.03 109.42 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.498 2.799 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . . . -102.6 176.03 5.3 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.044 1.465 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -150.7 103.69 3.12 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.421 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.84 54.23 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.753 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 79.6 m-20 61.59 113.97 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.982 1.048 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.423 ' CG1' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -125.86 7.38 4.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.997 1.436 . . . . 0.0 109.298 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.699 ' HB ' HE21 ' A' ' 38' ' ' GLN . 6.1 t -67.16 167.86 11.34 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.945 1.403 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.65 159.61 15.74 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.943 1.402 . . . . 0.0 109.367 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.959 1.412 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 160.83 26.66 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.964 1.037 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.514 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -127.13 151.06 49.15 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.969 1.418 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -92.19 154.99 18.31 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.016 1.447 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.23 128.64 1.64 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.507 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -90.09 155.81 3.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 O-C-N 124.997 1.057 . . . . 0.0 109.305 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.45 HG11 HD12 ' A' ' 45' ' ' LEU . 14.9 p -107.39 151.91 9.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -140.13 -14.11 1.03 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.077 1.486 . . . . 0.0 109.352 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.474 ' HB2' ' H ' ' A' ' 20' ' ' PHE . 2.1 m95 -98.54 -128.41 0.18 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.521 ' HA ' ' CA ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 75.98 116.35 0.06 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.867 1.354 . . . . 0.0 109.345 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.742 HD21 ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -138.25 137.09 37.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.027 1.454 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.72 8.13 34.96 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.968 1.417 . . . . 0.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.491 ' CB ' ' OD1' ' A' ' 13' ' ' ASN . 5.4 t0 -86.23 -64.8 1.09 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.047 1.467 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.742 ' N ' HD21 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -79.32 -24.18 42.98 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 125.004 1.44 . . . . 0.0 109.187 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.634 ' H ' HD21 ' A' ' 13' ' ' ASN . . . 90.84 69.74 1.2 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -175.06 163.98 3.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.013 1.067 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.521 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -154.72 170.69 33.06 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' H ' ' HB2' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -150.29 128.39 11.93 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.901 1.0 . . . . 0.0 109.288 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.55 ' CG1' HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -90.59 167.24 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.028 1.455 . . . . 0.0 109.23 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.51 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.23 96.52 12.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 18.6 Cg_endo -74.9 123.97 8.33 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.542 2.828 . . . . 0.0 111.07 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -67.91 0.24 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.931 1.394 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -60.15 -32.85 71.42 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.901 1.375 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.84 73.06 1.6 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.251 -1.539 . . . . 0.0 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.21 -31.98 0.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.092 1.113 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -169.51 0.01 OUTLIER 'General case' 0 C--O 1.238 0.497 0 O-C-N 125.019 1.45 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.99 141.81 40.44 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.069 1.481 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -116.71 147.42 20.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CZ ' ' CA ' ' A' ' 63' ' ' ALA . 5.7 p90 -74.08 144.91 44.8 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.912 1.382 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -154.8 169.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.951 1.407 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.572 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -136.63 155.32 50.07 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.055 1.472 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 37' ' ' ILE . 54.4 p90 -48.96 -18.25 0.27 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.119 1.512 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' HIS . 46.9 t -88.63 41.83 1.04 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.029 1.456 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.657 ' O ' ' O ' ' A' ' 67' ' ' VAL . . . -140.82 -29.78 0.66 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.047 1.467 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.43 15.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.636 ' H ' ' C ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -46.85 100.98 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.424 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.542 ' CG ' ' H ' ' A' ' 40' ' ' ASP . 5.1 t-20 -123.91 -168.59 1.81 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.943 1.402 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.542 ' H ' ' CG ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -43.83 -42.24 5.53 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.91 1.381 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.01 -35.23 0.02 OUTLIER Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -46.36 120.84 3.04 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.0 1.059 . . . . 0.0 109.356 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.48 141.43 46.24 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.954 1.409 . . . . 0.0 109.311 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.403 ' CA ' HG21 ' A' ' 37' ' ' ILE . 0.7 OUTLIER 80.57 133.64 0.06 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.019 1.449 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.622 ' N ' HD22 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -64.62 165.44 10.19 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.884 1.365 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.5 t0 -114.38 24.1 12.21 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.987 1.429 . . . . 0.0 109.213 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 14.0 pt-20 34.95 49.16 0.38 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.946 1.404 . . . . 0.0 109.388 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.68 83.95 0.05 OUTLIER Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HG3' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -174.39 142.36 0.77 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.968 1.04 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' CG ' HG22 ' A' ' 8' ' ' ILE . 1.3 ttpp -78.76 132.77 37.05 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.995 1.434 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.6 ' CG1' ' HA ' ' A' ' 69' ' ' SER . 1.6 m -150.26 162.21 3.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.47 162.82 25.21 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 23' ' ' PRO . 0.8 OUTLIER -159.31 145.49 16.42 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 125.008 1.443 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' ILE . 1.4 p -137.48 49.76 1.98 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -30.63 137.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 125.072 1.483 . . . . 0.0 109.3 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -112.36 153.37 27.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.883 1.364 . . . . 0.0 109.226 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 p -93.22 134.58 35.27 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 0.0 109.173 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.737 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . -177.23 66.17 0.09 OUTLIER Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.737 ' CB ' ' O ' ' A' ' 58' ' ' GLY . . . 114.97 -165.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.068 . . . . 0.0 109.236 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -93.6 36.75 1.07 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.949 1.405 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.36 109.59 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.484 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.06 109.61 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.464 2.776 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.584 ' CA ' ' CZ ' ' A' ' 31' ' ' PHE . . . -91.04 144.86 25.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.04 1.462 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.12 119.11 14.78 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.039 1.462 . . . . 0.0 109.365 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.88 130.98 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 55.41 100.82 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.988 1.052 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.657 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -133.93 99.1 2.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 125.045 1.466 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.36 119.41 37.9 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.071 1.482 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.6 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 21.0 p -55.67 134.91 51.53 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.502 ' H ' HG12 ' A' ' 51' ' ' VAL . 95.8 mt . . . . . 0 C--N 1.344 0.346 0 O-C-N 125.009 1.443 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.24 0.57 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.06 40.85 3.06 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.2 161.02 29.52 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.982 1.048 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.58 138.64 39.77 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.034 1.459 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -94.16 157.98 15.81 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.064 1.478 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.96 -159.44 18.3 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -148.16 138.2 16.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.993 1.055 . . . . 0.0 109.304 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.78 135.81 24.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 O-C-N 124.97 1.419 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -99.35 -61.06 1.42 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.962 1.414 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -125.77 156.91 38.71 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.066 1.479 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.443 ' HA ' ' CA ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -168.5 127.88 1.17 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.024 1.452 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.56 134.64 51.68 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.959 1.412 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.45 -13.34 16.66 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.11 -37.48 66.68 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.018 1.449 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.61 -38.5 10.83 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.021 1.451 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 100.33 50.63 1.3 Allowed Glycine 0 C--N 1.345 1.056 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 23.0 m-85 -165.47 159.32 16.75 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 124.973 1.043 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -159.16 -178.89 33.58 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -133.61 125.9 29.76 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.068 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG1' HG11 ' A' ' 32' ' ' VAL . 1.2 mt -103.74 164.88 3.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 O-C-N 124.966 1.416 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -133.15 97.68 16.29 Favored Pre-proline 0 C--O 1.24 0.553 0 O-C-N 125.013 1.446 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 133.83 17.02 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.473 2.782 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.11 -70.06 0.09 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.001 1.438 . . . . 0.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -57.76 -34.23 69.34 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.008 1.442 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.24 69.08 1.85 Allowed Glycine 0 C--N 1.345 1.082 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -32.64 0.22 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.995 1.056 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -57.84 -173.88 0.01 OUTLIER 'General case' 0 C--O 1.239 0.542 0 O-C-N 125.022 1.451 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.79 132.45 43.79 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.016 1.448 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 55' ' ' ILE . 24.5 m -118.21 156.09 20.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 124.995 1.434 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.06 155.26 19.19 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.966 1.416 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG11 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -140.58 162.11 23.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 125.018 1.449 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.422 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -132.07 167.32 19.93 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.028 1.455 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -98.9 41.18 1.15 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 t -123.49 20.25 9.57 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.98 1.425 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -170.46 37.53 0.02 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.992 1.433 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.603 ' CG1' ' H ' ' A' ' 38' ' ' GLN . 10.0 tt -88.55 -179.14 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 124.992 1.433 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.603 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 2.3 mp0 -139.71 75.57 1.52 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.931 1.395 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 39' ' ' ASN . 0.2 OUTLIER -146.56 42.86 1.18 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.956 1.41 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 58.89 -92.3 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.535 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -142.26 -141.89 3.97 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.535 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.5 t80 31.16 72.74 0.06 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.082 1.107 . . . . 0.0 109.287 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HG2' ' H ' ' A' ' 43' ' ' LYS . 18.0 mmtp -50.2 120.8 4.79 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.965 1.415 . . . . 0.0 109.326 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.99 133.73 1.21 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.45 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.8 mt -137.39 159.02 43.13 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.024 1.453 . . . . 0.0 109.351 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -98.96 160.79 14.01 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.025 1.453 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 11.1 pt-20 -92.26 120.91 33.26 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 124.99 1.431 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.11 41.01 9.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -106.2 148.34 28.02 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.981 1.048 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -79.54 119.36 22.41 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.018 1.449 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.23 159.03 29.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.42 ' C ' ' CD1' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -113.34 171.96 7.25 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.029 1.455 . . . . 0.0 109.282 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE1' HG21 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -169.85 -161.45 0.28 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.985 1.428 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.4 t -154.24 29.58 0.45 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.038 1.461 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.506 ' CD1' HG11 ' A' ' 30' ' ' VAL . 1.1 mm 34.35 83.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 125.015 1.447 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -80.58 161.76 24.6 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.984 1.428 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -119.01 139.35 51.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.023 1.452 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.25 -38.2 0.02 OUTLIER Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.42 -77.43 0.6 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 125.039 1.082 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -86.61 0.4 Allowed 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.973 1.421 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -131.46 -73.71 0.11 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.443 ' HA ' ' CG2' ' A' ' 55' ' ' ILE . 18.5 Cg_endo -74.95 145.79 32.06 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.493 2.795 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 31' ' ' PHE . . . 175.49 101.26 0.01 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.983 1.427 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 38.33 -143.02 0.03 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.984 1.428 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.663 ' O ' HG22 ' A' ' 54' ' ' THR . . . 120.43 83.49 0.77 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 56.94 64.18 1.72 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.98 1.047 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -81.65 104.39 10.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.043 1.465 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 t -121.53 148.04 45.01 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.978 1.423 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -85.89 142.01 29.17 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.945 1.403 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.345 0.372 0 O-C-N 124.981 1.426 . . . . 0.0 109.314 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.241 0.631 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 48.14 -116.92 3.29 Favored Glycine 0 C--N 1.346 1.115 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.93 177.79 5.33 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.987 1.051 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 4.0 ptp -165.39 148.35 7.98 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.987 1.429 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -85.12 146.74 26.98 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.941 1.401 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -173.74 129.49 1.66 Allowed Glycine 0 C--N 1.346 1.105 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.441 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -97.74 140.43 17.9 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.028 1.075 . . . . 0.0 109.345 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.574 ' CG1' ' HA ' ' A' ' 46' ' ' ASP . 1.7 p -78.47 155.01 5.02 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.947 1.404 . . . . 0.0 109.225 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -110.96 -63.74 1.36 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.094 1.496 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.87 166.16 25.7 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.002 1.439 . . . . 0.0 109.306 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -158.64 156.59 30.29 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.022 1.451 . . . . 0.0 109.252 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 16' ' ' LYS . 4.0 p30 -131.12 131.82 44.39 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 125.006 1.441 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.76 -0.08 25.7 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.939 1.399 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.83 -55.08 5.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.078 1.486 . . . . 0.0 109.381 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' CG ' ' OD1' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -81.4 -35.07 31.19 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 124.935 1.397 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' O ' ' CD1' ' A' ' 18' ' ' PHE . . . 101.54 60.08 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CD1' ' O ' ' A' ' 17' ' ' GLY . 64.6 m-85 -158.33 153.38 25.36 Favored 'General case' 0 C--O 1.24 0.602 0 O-C-N 125.051 1.089 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -130.31 170.8 20.79 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.647 ' CZ ' ' CB ' ' A' ' 29' ' ' ASP . 10.9 t80 -143.11 114.48 7.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.981 1.047 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.589 ' CD1' HG11 ' A' ' 67' ' ' VAL . 4.7 mt -107.94 168.81 3.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.976 1.423 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.544 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -139.72 108.93 7.17 Favored Pre-proline 0 C--O 1.239 0.547 0 O-C-N 124.999 1.437 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.04 36.16 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.537 2.825 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -106.61 -53.18 2.66 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.078 1.486 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -104.53 -10.59 17.52 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 124.959 1.412 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.43 -128.87 0.03 OUTLIER Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.4 p -116.76 -108.49 0.37 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.036 1.08 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -178.66 3.62 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.026 1.454 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.647 ' CB ' ' CZ ' ' A' ' 20' ' ' PHE . 0.5 OUTLIER -58.4 122.88 14.37 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.92 1.387 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.58 128.94 54.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 O-C-N 125.022 1.451 . . . . 0.0 109.266 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -73.83 157.89 35.54 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.977 1.423 . . . . 0.0 109.345 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG23 ' H ' ' A' ' 34' ' ' PHE . 2.0 m -119.77 160.05 20.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.008 1.443 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.77 42.88 2.12 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.043 1.464 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.569 ' H ' HG23 ' A' ' 32' ' ' VAL . 1.7 m-30 46.18 -164.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.95 1.406 . . . . 0.0 109.264 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 t 71.81 -26.59 0.18 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.964 1.415 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -138.43 52.84 1.81 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.003 1.439 . . . . 0.0 109.258 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.1 tt -133.34 60.84 0.29 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 125.032 1.457 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.594 ' NE2' ' H ' ' A' ' 38' ' ' GLN . 19.6 mm-40 -36.3 100.23 0.02 OUTLIER 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.942 1.401 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -109.97 -148.28 0.43 Allowed 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.022 1.451 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -110.55 -62.5 1.52 Allowed 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.96 1.412 . . . . 0.0 109.261 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -163.71 -72.37 0.02 OUTLIER Glycine 0 C--N 1.344 1.002 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -68.43 119.93 13.7 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.977 1.046 . . . . 0.0 109.315 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -50.38 97.92 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.972 1.42 . . . . 0.0 109.197 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.32 109.01 0.44 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.969 1.418 . . . . 0.0 109.255 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.681 ' CD1' HE22 ' A' ' 49' ' ' GLN . 10.4 tp -143.14 -139.71 0.11 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.275 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.574 ' HA ' ' CG1' ' A' ' 9' ' ' VAL . 6.9 p-10 41.98 -155.24 0.02 OUTLIER 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.981 1.425 . . . . 0.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 70.6 25.44 4.17 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.007 1.442 . . . . 0.0 109.25 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 49' ' ' GLN . . . 94.82 93.88 1.67 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.681 HE22 ' CD1' ' A' ' 45' ' ' LEU . 20.2 mt-30 -158.85 141.82 14.54 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.043 1.084 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -89.14 117.62 28.26 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.027 1.454 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -128.74 176.0 9.01 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 O-C-N 125.009 1.443 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 p -132.67 142.85 49.28 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.925 1.39 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CE2' HG21 ' A' ' 21' ' ' ILE . 6.9 p90 -153.49 -159.6 1.01 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.04 1.463 . . . . 0.0 109.181 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 54' ' ' THR . 2.4 t -151.61 29.27 0.61 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.981 1.426 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt 36.95 86.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 125.049 1.468 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.538 ' HB2' ' CA ' ' A' ' 65' ' ' GLY . 3.0 mt-10 -82.19 178.41 8.28 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.962 1.414 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.3 t -149.69 123.88 9.5 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.051 1.469 . . . . 0.0 109.298 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.96 55.36 0.01 OUTLIER Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.284 -1.526 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.48 -161.45 0.59 Allowed 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.044 1.085 . . . . 0.0 109.314 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.46 -37.34 17.05 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.039 1.462 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -161.26 -151.68 6.34 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 109.98 3.03 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.454 2.769 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -113.58 164.91 13.05 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.994 1.434 . . . . 0.0 109.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 139.22 38.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.897 1.373 . . . . 0.0 109.259 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.538 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -109.85 141.21 16.09 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.341 -1.504 . . . . 0.0 109.341 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 52.1 50.49 18.37 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.97 1.041 . . . . 0.0 109.423 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -79.66 112.65 17.96 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 O-C-N 125.037 1.461 . . . . 0.0 109.273 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.432 ' HB ' ' HG2' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -122.43 123.1 40.54 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.896 1.372 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -58.85 146.39 37.52 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.031 1.457 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 50' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.346 0.423 0 O-C-N 125.014 1.446 . . . . 0.0 109.24 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--O 1.239 0.539 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.77 -39.91 85.53 Favored Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.603 ' H ' ' HZ2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -85.15 160.92 19.83 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.954 1.032 . . . . 0.0 109.36 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.37 152.63 41.82 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.069 1.481 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -81.31 171.64 14.56 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.912 1.383 . . . . 0.0 109.325 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.82 130.73 1.31 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.344 -1.503 . . . . 0.0 109.344 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.544 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -103.6 143.9 14.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 124.941 1.024 . . . . 0.0 109.28 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.26 148.4 6.77 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.014 1.446 . . . . 0.0 109.336 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -113.64 -38.84 4.19 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 125.016 1.448 . . . . 0.0 109.281 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -134.21 135.52 43.04 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.041 1.463 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.506 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -146.67 141.76 27.18 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.077 1.486 . . . . 0.0 109.226 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -123.87 124.02 41.74 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.024 1.452 . . . . 0.0 109.344 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.471 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -108.69 23.0 15.17 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.921 1.388 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.618 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -94.83 -45.66 7.22 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.983 1.427 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' H ' HD21 ' A' ' 13' ' ' ASN . 2.2 pttm -104.22 -34.39 8.37 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.063 1.477 . . . . 0.0 109.203 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.465 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 112.8 64.57 0.46 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 43.8 m-85 -167.32 154.58 8.74 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 124.921 1.012 . . . . 0.0 109.291 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.02 140.75 6.48 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.29 -1.524 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.454 ' CE2' ' CE1' ' A' ' 31' ' ' PHE . 1.3 m-85 -89.45 121.19 31.45 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.904 1.003 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.3 mt -110.25 161.86 8.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 124.993 1.433 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.411 ' N ' HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -134.78 108.02 10.76 Favored Pre-proline 0 C--O 1.239 0.528 0 O-C-N 125.016 1.448 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.424 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 18.1 Cg_endo -74.96 141.08 26.32 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.503 2.802 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.0 OUTLIER -51.8 -91.52 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.899 1.374 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 33.4 t70 -57.98 -12.3 3.17 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 124.982 1.426 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' HG2' ' A' ' 23' ' ' PRO . . . -89.73 84.9 1.38 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -52.28 144.27 13.12 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.075 1.103 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.0 OUTLIER 92.74 -169.82 0.01 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.954 1.409 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 28' ' ' LYS . 5.2 p-10 -132.84 114.15 13.74 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.014 1.446 . . . . 0.0 109.229 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.67 140.66 15.5 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.017 1.448 . . . . 0.0 109.345 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -73.97 155.34 38.73 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.097 1.498 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' CB ' ' HB2' ' A' ' 64' ' ' ALA . 1.2 m -150.07 175.09 0.97 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.532 0 O-C-N 125.08 1.488 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -144.58 155.22 43.54 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.979 1.424 . . . . 0.0 109.226 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -63.36 -156.44 0.01 OUTLIER 'General case' 0 C--O 1.241 0.618 0 O-C-N 125.073 1.483 . . . . 0.0 109.402 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 73.61 -48.46 0.67 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.092 1.495 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.21 4.52 6.84 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.92 1.387 . . . . 0.0 109.29 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.729 ' CD1' ' H ' ' A' ' 43' ' ' LYS . 1.1 pt -72.28 60.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.026 1.454 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' NE2' ' HB ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -67.19 95.39 0.41 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.052 1.47 . . . . 0.0 109.303 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.448 ' CB ' ' HE2' ' A' ' 43' ' ' LYS . 0.3 OUTLIER 175.73 121.7 0.03 OUTLIER 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.043 1.464 . . . . 0.0 109.281 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.2 t0 58.3 -91.17 0.03 OUTLIER 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.933 1.396 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.543 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 171.73 153.76 9.38 Favored Glycine 0 C--N 1.345 1.071 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 41' ' ' GLY . 2.1 t80 31.18 50.04 0.11 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.94 1.023 . . . . 0.0 109.379 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.729 ' H ' ' CD1' ' A' ' 37' ' ' ILE . 26.9 ttpp -64.45 136.65 57.29 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.979 1.424 . . . . 0.0 109.219 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -101.94 129.96 48.33 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.915 1.384 . . . . 0.0 109.294 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 12' ' ' PHE . 5.0 mt -86.77 153.88 21.35 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.965 1.416 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -137.86 159.01 43.15 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.004 1.44 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -76.68 100.37 5.37 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.008 1.442 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.42 54.22 0.45 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -122.06 143.59 49.42 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.043 1.084 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -101.22 103.18 14.2 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 124.916 1.385 . . . . 0.0 109.339 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.6 m -113.29 -169.53 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.985 1.428 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.66 158.7 44.32 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.999 1.437 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.52 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -162.85 -157.8 0.46 Allowed 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.989 1.431 . . . . 0.0 109.361 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.619 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.3 t -121.44 29.65 7.14 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.985 1.428 . . . . 0.0 109.227 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.619 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.8 mt 13.06 86.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.916 1.385 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 55' ' ' ILE . 1.9 mt-10 -177.34 133.96 0.18 Allowed 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.881 1.363 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.1 p -97.13 29.99 2.93 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.04 1.462 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 94.28 -49.48 2.15 Favored Glycine 0 C--N 1.345 1.08 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 176.75 -39.2 0.01 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.976 1.045 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.96 -44.42 7.19 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.041 1.463 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -179.46 -164.58 32.18 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 156.09 42.79 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.54 2.827 . . . . 0.0 110.945 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.03 -159.99 0.02 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.034 1.459 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB2' ' CB ' ' A' ' 32' ' ' VAL . . . -74.52 -146.07 0.02 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.964 1.415 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.484 ' O ' HG22 ' A' ' 54' ' ' THR . . . 133.44 98.07 0.64 Allowed Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.0 m-20 60.13 62.36 1.64 Allowed 'General case' 0 C--O 1.241 0.609 0 O-C-N 124.95 1.029 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.65 101.01 5.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 125.049 1.468 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.414 ' HB ' ' NE2' ' A' ' 38' ' ' GLN . 0.5 OUTLIER -116.99 139.43 50.69 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.952 1.408 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -45.3 160.93 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.033 1.458 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.411 0 O-C-N 125.028 1.455 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.24 0.575 0 CA-C-O 118.405 -0.807 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.57 -49.19 0.59 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.55 160.85 13.04 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.027 1.075 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.507 ' HB2' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -120.47 140.04 51.99 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.0 1.437 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -71.88 167.29 20.34 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.941 1.4 . . . . 0.0 109.278 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.47 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.89 104.98 0.18 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.514 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -88.41 142.07 13.43 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.083 1.108 . . . . 0.0 109.285 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 1.2 p -89.3 125.94 42.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.622 0 O-C-N 124.979 1.424 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.4 mttm -100.15 -41.59 7.06 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.08 1.487 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.445 ' CE3' ' O ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -131.57 159.37 38.41 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.989 1.43 . . . . 0.0 109.263 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -173.71 119.71 0.29 Allowed 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.862 1.351 . . . . 0.0 109.312 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.694 HD21 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -90.76 125.73 35.79 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.902 1.376 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' HB2' ' CE1' ' A' ' 12' ' ' PHE . . . -105.3 28.46 7.31 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.011 1.444 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.99 -47.61 4.51 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.996 1.435 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.694 ' H ' HD21 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -98.72 -24.09 15.18 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.076 1.485 . . . . 0.0 109.365 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.464 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 103.17 43.9 1.82 Allowed Glycine 0 C--N 1.345 1.035 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -118.3 160.09 22.24 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.009 1.064 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.418 ' HA3' ' CG2' ' A' ' 32' ' ' VAL . . . -145.48 141.4 9.78 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -117.56 109.61 16.91 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 124.9 1.0 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CD1' HG11 ' A' ' 32' ' ' VAL . 4.1 mt -102.66 150.33 6.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.06 1.475 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.522 HG22 ' HD2' ' A' ' 23' ' ' PRO . 1.9 m -114.66 140.7 25.66 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.916 1.385 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 22' ' ' THR . 18.1 Cg_endo -75.08 -165.07 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.528 2.819 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.708 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -67.24 0.51 2.73 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.06 1.475 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.708 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 31.3 t70 120.52 0.84 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.95 1.406 . . . . 0.0 109.314 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -49.04 -17.14 0.84 Allowed Glycine 0 C--N 1.345 1.043 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 3.8 t 98.77 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.977 1.045 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -48.93 151.97 1.14 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.963 1.414 . . . . 0.0 109.273 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.39 115.99 21.85 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.979 1.425 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.511 ' HB ' ' H ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -101.95 132.73 47.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 O-C-N 124.968 1.417 . . . . 0.0 109.348 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 p90 -90.19 163.5 14.78 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.959 1.412 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.496 HG11 ' CD1' ' A' ' 21' ' ' ILE . 6.1 m -148.79 161.14 5.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 125.031 1.457 . . . . 0.0 109.31 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.3 OUTLIER -134.91 144.99 47.8 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.02 1.45 . . . . 0.0 109.266 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.438 ' C ' ' H ' ' A' ' 36' ' ' ALA . 3.6 m-85 -42.95 -29.03 0.3 Allowed 'General case' 0 C--O 1.238 0.488 0 O-C-N 124.872 1.357 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 t -72.34 44.82 0.12 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.096 1.498 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' O ' ' CG2' ' A' ' 67' ' ' VAL . . . 174.45 74.48 0.0 OUTLIER 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.016 1.447 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.99 45.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.608 0 O-C-N 124.991 1.432 . . . . 0.0 109.336 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.505 ' HG2' ' HA ' ' A' ' 68' ' ' THR . 20.0 mm-40 37.73 37.25 0.11 Allowed 'General case' 0 C--O 1.238 0.496 0 O-C-N 124.964 1.415 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER 46.46 -163.45 0.02 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.992 1.432 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 2.6 t0 157.6 -47.55 0.0 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.971 1.419 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.24 -59.65 0.52 Allowed Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -96.57 104.93 16.95 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.013 1.066 . . . . 0.0 109.406 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -67.37 100.78 0.86 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.98 1.425 . . . . 0.0 109.323 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.48 136.68 7.52 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.048 1.468 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.25 165.18 29.12 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.922 1.389 . . . . 0.0 109.341 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -114.45 150.37 34.87 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 124.991 1.432 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 11.1 pt-20 -79.44 73.56 6.08 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.938 1.399 . . . . 0.0 109.234 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 152.32 63.79 0.01 OUTLIER Glycine 0 C--N 1.346 1.095 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -133.82 152.6 51.92 Favored 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.888 0.993 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.514 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -95.96 124.18 39.87 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.951 1.407 . . . . 0.0 109.246 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' THR . 1.7 m -129.08 162.71 35.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.994 1.434 . . . . 0.0 109.25 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB3' HG23 ' A' ' 68' ' ' THR . 1.2 t -116.98 126.33 52.75 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.027 1.455 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 5' ' ' MET . 2.8 p90 -116.33 -175.73 2.81 Favored 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.063 1.477 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.6 t -135.31 29.5 3.32 Favored 'General case' 0 C--O 1.24 0.599 0 O-C-N 124.908 1.38 . . . . 0.0 109.248 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mt 40.07 86.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.617 0 O-C-N 125.032 1.458 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 1.5 mt-10 -102.38 166.22 10.68 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.077 1.486 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -104.71 139.28 39.76 Favored 'General case' 0 C--O 1.241 0.637 0 O-C-N 124.933 1.396 . . . . 0.0 109.364 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.25 -110.21 2.06 Favored Glycine 0 C--N 1.345 1.077 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.25 -70.11 0.64 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.987 1.051 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -43.87 -42.26 5.64 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.985 1.428 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.54 -93.81 0.1 Allowed Glycine 0 C--N 1.346 1.102 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 171.51 18.18 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.408 2.738 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . . . 175.93 86.91 0.01 OUTLIER 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.007 1.442 . . . . 0.0 109.201 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.511 ' H ' ' HB ' ' A' ' 30' ' ' VAL . . . -50.1 131.51 23.33 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.028 1.455 . . . . 0.0 109.281 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 54' ' ' THR . . . -112.38 153.15 17.59 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 48.79 63.2 2.21 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.015 1.067 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 67' ' ' VAL . 30.9 m -86.75 103.63 13.25 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.019 1.449 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 52' ' ' SER . 0.1 OUTLIER -91.94 125.78 36.77 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.922 1.389 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 p -86.32 126.53 34.4 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.411 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.406 0 O-C-N 125.008 1.443 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.24 0.57 0 CA-C-O 118.483 -0.77 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.32 -53.62 0.27 Allowed Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -99.93 158.62 15.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.087 . . . . 0.0 109.328 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.506 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 3.8 ptp -156.92 164.69 37.77 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.061 1.476 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -78.29 172.66 13.26 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.038 1.461 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . 162.26 127.93 0.91 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.269 -1.533 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.46 141.28 15.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.029 1.076 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.518 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 2.6 p -98.9 135.45 33.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.441 . . . . 0.0 109.217 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' CE ' ' HA2' ' A' ' 48' ' ' GLY . 9.7 mttt -151.17 13.6 0.68 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.01 1.444 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' HB2' ' CB ' ' A' ' 20' ' ' PHE . 1.2 m-90 -143.18 29.14 1.48 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.972 1.42 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.52 ' HA ' ' HA2' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -83.18 117.59 23.02 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.063 1.477 . . . . 0.0 109.233 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' C ' ' H ' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -126.49 89.05 2.94 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.026 1.454 . . . . 0.0 109.334 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.96 20.3 0.37 Allowed 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.879 1.362 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -105.97 -65.11 1.09 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.107 1.504 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -62.02 -42.12 98.83 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.009 1.443 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.467 ' O ' ' CE1' ' A' ' 33' ' ' HIS . . . 121.34 52.7 0.23 Allowed Glycine 0 CA--C 1.531 1.078 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 16.5 m-85 -170.76 168.55 7.3 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.12 1.129 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 12' ' ' PHE . . . -170.36 110.18 0.36 Allowed Glycine 0 C--N 1.345 1.041 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -91.34 152.4 20.46 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 125.019 1.07 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.538 HD11 ' CG1' ' A' ' 67' ' ' VAL . 34.1 mt -132.67 161.63 41.22 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 124.834 1.334 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -115.45 117.79 40.24 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.979 1.424 . . . . 0.0 109.258 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 -159.83 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.432 2.754 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -133.27 -5.22 3.01 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -44.4 -84.22 0.01 OUTLIER 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.033 1.458 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.45 53.96 0.41 Allowed Glycine 0 C--N 1.346 1.121 0 N-CA-C 109.265 -1.534 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 76.37 127.06 0.04 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.065 1.097 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm 169.97 -172.03 0.03 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.006 1.441 . . . . 0.0 109.358 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' OD2' ' CE1' ' A' ' 20' ' ' PHE . 6.6 p-10 -153.66 113.6 3.89 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.67 128.85 44.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 124.97 1.419 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.643 ' CE2' ' CE2' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -78.72 145.65 34.36 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 125.009 1.443 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG1' ' C ' ' A' ' 31' ' ' PHE . 1.7 m -152.56 162.88 2.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.563 0 O-C-N 125.098 1.499 . . . . 0.0 109.216 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.467 ' CE1' ' O ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -116.31 138.14 51.57 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.068 1.48 . . . . 0.0 109.268 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' C ' ' N ' ' A' ' 36' ' ' ALA . 6.5 p90 -61.87 -160.94 0.01 OUTLIER 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.929 1.393 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t 50.21 17.46 0.33 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' PHE . . . -127.23 10.9 6.9 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.048 1.468 . . . . 0.0 109.211 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.644 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 9.8 tt -77.92 179.86 0.45 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.961 1.413 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.604 ' H ' ' CG1' ' A' ' 37' ' ' ILE . 20.9 mm-40 -91.95 32.21 1.16 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.007 1.442 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 58.91 171.61 0.07 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.96 1.413 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.9 t0 179.73 37.41 0.0 OUTLIER 'General case' 0 C--O 1.238 0.485 0 O-C-N 124.984 1.428 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.59 -51.62 1.86 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -124.83 119.15 28.03 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.113 1.125 . . . . 0.0 109.285 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 94.4 0.02 OUTLIER 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.937 1.398 . . . . 0.0 109.247 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -166.54 160.94 15.72 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.937 1.398 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.644 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 2.7 tp -138.7 162.94 33.42 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.036 1.46 . . . . 0.0 109.366 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -107.0 103.86 13.39 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.943 1.402 . . . . 0.0 109.373 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -52.97 103.53 0.07 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.074 1.484 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.499 ' HA2' ' CE ' ' A' ' 10' ' ' LYS . . . 115.95 51.01 0.42 Allowed Glycine 0 C--N 1.344 1.0 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.536 ' NE2' ' CG1' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -137.19 154.02 50.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 124.924 1.014 . . . . 0.0 109.243 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.91 126.8 33.34 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.951 1.407 . . . . 0.0 109.374 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.536 ' CG1' ' NE2' ' A' ' 49' ' ' GLN . 27.2 m -136.1 -162.42 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 O-C-N 124.977 1.423 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.15 -176.05 4.66 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.939 1.399 . . . . 0.0 109.344 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE1' ' HG3' ' A' ' 5' ' ' MET . 47.8 p90 -170.29 163.92 8.86 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.974 1.421 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.7 t -113.94 60.02 0.67 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.087 1.492 . . . . 0.0 109.21 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER -27.84 132.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.518 0 O-C-N 125.014 1.446 . . . . 0.0 109.303 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -126.07 119.89 28.78 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.005 1.441 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 p -94.67 127.83 40.92 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.036 1.46 . . . . 0.0 109.358 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.05 -32.42 0.02 OUTLIER Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.0 -152.41 0.51 Allowed 'General case' 0 C--O 1.241 0.637 0 O-C-N 125.035 1.079 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp -112.63 82.89 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 154.65 131.8 1.54 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 117.18 4.79 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.447 2.765 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.46 154.92 12.49 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.057 1.473 . . . . 0.0 109.325 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 54' ' ' THR . . . -174.79 -156.5 0.06 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.967 1.417 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' C ' HG22 ' A' ' 54' ' ' THR . . . -128.05 -142.64 5.5 Favored Glycine 0 C--N 1.346 1.106 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.494 ' OD1' HG21 ' A' ' 54' ' ' THR . 10.0 m120 56.87 55.76 5.94 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.01 1.065 . . . . 0.0 109.399 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.538 ' CG1' HD11 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -91.69 99.46 9.72 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 O-C-N 124.921 1.388 . . . . 0.0 109.293 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 4.1 t -119.34 151.3 38.7 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.934 1.396 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.3 p -86.82 130.99 34.24 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.043 1.464 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.98 1.425 . . . . 0.0 109.322 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.241 0.626 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.77 140.39 15.57 Favored Glycine 0 C--N 1.344 1.014 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -108.93 -155.68 0.56 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.953 1.031 . . . . 0.0 109.361 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.482 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -88.36 150.93 22.93 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.99 1.431 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -77.75 168.99 19.06 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.122 1.514 . . . . 0.0 109.314 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.01 132.84 1.41 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 109.373 -1.491 . . . . 0.0 109.373 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.66 143.83 12.56 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.065 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.428 ' HB ' ' CD1' ' A' ' 21' ' ' ILE . 2.4 p -83.73 142.06 13.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.01 1.444 . . . . 0.0 109.284 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.77 -34.49 6.24 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.025 1.453 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -139.9 133.87 30.82 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 125.046 1.466 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -138.0 118.91 14.24 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.051 1.469 . . . . 0.0 109.254 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.575 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 12.2 m120 -138.1 57.06 1.72 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.99 1.431 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 34' ' ' PHE . . . -73.22 68.53 1.02 Allowed 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.915 1.384 . . . . 0.0 109.339 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -168.67 -29.85 0.02 OUTLIER 'General case' 0 C--O 1.238 0.477 0 O-C-N 125.056 1.473 . . . . 0.0 109.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -100.77 -60.25 1.56 Allowed 'General case' 0 C--O 1.24 0.573 0 O-C-N 125.037 1.461 . . . . 0.0 109.263 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.494 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . -151.07 30.03 0.99 Allowed Glycine 0 C--N 1.345 1.036 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CG ' ' C ' ' A' ' 17' ' ' GLY . 0.9 OUTLIER 83.23 -163.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.928 1.017 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.39 177.58 19.72 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -132.35 135.97 46.52 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.999 1.058 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' ASP . 3.2 mt -108.74 158.99 8.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.987 1.429 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.08 110.22 34.83 Favored Pre-proline 0 C--O 1.241 0.628 0 O-C-N 124.992 1.433 . . . . 0.0 109.211 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.498 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 18.1 Cg_endo -75.08 168.26 25.17 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.481 2.787 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -114.53 -45.94 2.99 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.0 1.438 . . . . 0.0 109.194 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -96.24 -18.76 19.81 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.006 1.441 . . . . 0.0 109.401 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.95 -118.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.81 -86.94 0.08 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.05 1.088 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' O ' ' CG ' ' A' ' 23' ' ' PRO . 8.2 mttp -104.38 -172.62 2.14 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 124.947 1.405 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -90.56 145.02 25.21 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.972 1.42 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.535 ' CG1' HG23 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -117.64 163.58 14.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 125.004 1.44 . . . . 0.0 109.316 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 3.2 p90 -90.1 152.0 21.34 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.037 1.461 . . . . 0.0 109.355 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -158.29 153.83 5.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.224 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.506 ' CE1' ' HB3' ' A' ' 35' ' ' SER . 5.4 p80 -111.39 177.97 4.49 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.978 1.424 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' HB3' ' CB ' ' A' ' 14' ' ' ALA . 2.7 p90 -69.29 -22.33 63.81 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 124.997 1.435 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.506 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -77.71 39.06 0.27 Allowed 'General case' 0 C--O 1.241 0.619 0 O-C-N 124.934 1.396 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 34' ' ' PHE . . . -169.81 66.93 0.05 Allowed 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.064 1.478 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.586 ' CG2' ' HA ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -143.64 60.22 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 124.962 1.413 . . . . 0.0 109.339 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.878 ' NE2' ' H ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -41.55 99.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.011 1.444 . . . . 0.0 109.374 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.43 ' ND2' ' CD1' ' A' ' 37' ' ' ILE . 42.7 p-10 -165.54 -144.0 0.07 Allowed 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.05 1.469 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 39' ' ' ASN . 4.1 m-20 -35.17 -79.17 0.01 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.024 1.452 . . . . 0.0 109.282 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.78 -38.17 0.24 Allowed Glycine 0 C--N 1.345 1.066 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.503 ' O ' ' C ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -79.31 48.7 0.91 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.008 1.064 . . . . 0.0 109.266 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.586 ' HA ' ' CG2' ' A' ' 37' ' ' ILE . 0.0 OUTLIER 27.25 -136.33 0.01 OUTLIER 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.071 1.482 . . . . 0.0 109.323 -179.463 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.99 116.07 0.03 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.985 1.428 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.536 ' CD2' HG13 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -102.69 -157.32 0.6 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.082 1.489 . . . . 0.0 109.298 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -150.89 165.39 33.79 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.034 1.459 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -91.87 100.36 13.06 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.867 1.354 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.23 80.07 1.5 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' NE2' ' CB ' ' A' ' 69' ' ' SER . 47.4 tt0 -151.69 129.31 11.5 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.044 1.085 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.06 133.75 45.43 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 125.072 1.483 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.6 171.93 1.33 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 124.958 1.411 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.751 ' O ' HG22 ' A' ' 68' ' ' THR . 0.6 OUTLIER -124.19 126.62 46.44 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.057 1.473 . . . . 0.0 109.323 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.567 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -144.78 -170.44 3.4 Favored 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.015 1.447 . . . . 0.0 109.326 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.81 HG22 ' O ' ' A' ' 65' ' ' GLY . 1.4 t -122.22 95.31 4.6 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.951 1.407 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.56 HG13 ' CE2' ' A' ' 53' ' ' PHE . 3.5 mp -70.95 67.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.605 0 O-C-N 125.058 1.474 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -179.73 127.45 0.09 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 124.956 1.41 . . . . 0.0 109.389 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.0 t 66.67 140.11 0.03 OUTLIER 'General case' 0 C--O 1.239 0.544 0 O-C-N 125.056 1.472 . . . . 0.0 109.342 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.534 ' HA3' ' CB ' ' A' ' 63' ' ' ALA . . . 175.88 -40.08 0.11 Allowed Glycine 0 C--N 1.346 1.134 0 N-CA-C 109.186 -1.566 . . . . 0.0 109.186 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.77 -78.06 0.03 OUTLIER 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.047 1.086 . . . . 0.0 109.379 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -63.2 1.4 Allowed 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.085 1.491 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 62' ' ' PRO . . . -145.83 -96.26 0.19 Allowed Glycine 0 C--N 1.345 1.064 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.47 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.8 Cg_endo -74.93 135.95 19.9 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.532 2.821 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.534 ' CB ' ' HA3' ' A' ' 58' ' ' GLY . . . -158.88 159.47 35.04 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.96 1.412 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.458 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -107.64 84.15 1.91 Allowed 'General case' 0 C--O 1.239 0.529 0 O-C-N 125.063 1.477 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.81 ' O ' HG22 ' A' ' 54' ' ' THR . . . -103.56 166.66 16.06 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 61.87 39.98 13.12 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.953 1.031 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.567 ' CG2' ' HB3' ' A' ' 53' ' ' PHE . 1.1 t -69.32 157.86 6.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 125.051 1.469 . . . . 0.0 109.356 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -169.93 124.61 0.78 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.01 1.444 . . . . 0.0 109.374 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.426 ' CB ' ' NE2' ' A' ' 49' ' ' GLN . 56.3 p -66.93 132.44 47.97 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 125.042 1.464 . . . . 0.0 109.338 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.346 0.432 0 O-C-N 124.924 1.39 . . . . 0.0 109.279 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.402 -0.809 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.03 155.09 9.24 Favored Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.71 160.47 14.75 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.033 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.501 ' HG3' ' CD2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -138.75 155.4 48.24 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 125.019 1.45 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -89.74 166.73 13.39 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.977 1.423 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.31 135.52 1.83 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.76 164.72 2.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.006 1.063 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.538 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -104.23 129.03 57.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.613 0 O-C-N 125.035 1.459 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -102.9 -38.7 7.27 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.012 1.445 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -126.49 135.86 51.88 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.005 1.441 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.529 ' CD1' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -153.43 151.3 29.73 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.086 1.491 . . . . 0.0 109.221 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.57 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -160.44 87.53 0.77 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.071 1.482 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.1 59.56 1.39 Allowed 'General case' 0 C--O 1.239 0.527 0 O-C-N 124.887 1.367 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -167.88 -36.39 0.02 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.944 1.402 . . . . 0.0 109.234 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -93.05 -49.87 5.8 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.884 1.365 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.06 -90.92 0.08 OUTLIER Glycine 0 C--N 1.345 1.067 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -146.26 -172.07 3.86 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.021 1.071 . . . . 0.0 109.224 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.507 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -122.11 162.97 15.68 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -124.27 111.29 15.66 Favored 'General case' 0 C--O 1.241 0.644 0 O-C-N 124.99 1.053 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.7 OUTLIER -84.47 165.17 2.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 O-C-N 124.906 1.379 . . . . 0.0 109.263 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.485 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.61 137.49 23.97 Favored Pre-proline 0 C--O 1.24 0.589 0 O-C-N 125.006 1.441 . . . . 0.0 109.269 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.551 ' CG ' ' H ' ' A' ' 28' ' ' LYS . 18.6 Cg_endo -75.02 -159.89 0.1 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.504 2.803 . . . . 0.0 111.013 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.709 ' O ' ' CB ' ' A' ' 25' ' ' ASP . 1.9 p-10 -43.71 -27.57 0.33 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.964 1.415 . . . . 0.0 109.289 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.709 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 27.6 t70 120.28 0.12 0.0 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.014 1.446 . . . . 0.0 109.384 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.89 46.92 1.04 Allowed Glycine 0 C--N 1.346 1.11 0 N-CA-C 109.245 -1.542 . . . . 0.0 109.245 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.63 -81.03 0.21 Allowed 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.971 1.042 . . . . 0.0 109.31 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' H ' ' CG ' ' A' ' 23' ' ' PRO . 0.1 OUTLIER 169.91 139.15 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.982 1.426 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -69.76 135.11 49.35 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.966 1.416 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.6 m -105.96 128.11 60.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.052 1.47 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -88.29 144.28 26.52 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.982 1.426 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 1.1 p -160.17 151.15 5.7 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 O-C-N 125.112 1.507 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.648 ' CE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.7 OUTLIER -79.6 111.1 15.55 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.043 1.464 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.648 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 9.8 m-85 73.69 -24.24 0.21 Allowed 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.975 1.422 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER 85.7 30.65 0.04 OUTLIER 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.976 1.422 . . . . 0.0 109.276 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB3' ' H ' ' A' ' 67' ' ' VAL . . . 37.14 54.69 1.27 Allowed 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.945 1.403 . . . . 0.0 109.35 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.434 ' CD1' ' O ' ' A' ' 42' ' ' TYR . 0.5 OUTLIER -72.09 61.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 124.871 1.357 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.582 ' H ' HE21 ' A' ' 38' ' ' GLN . 0.0 OUTLIER -42.79 96.27 0.01 OUTLIER 'General case' 0 C--O 1.242 0.677 0 O-C-N 124.967 1.417 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -166.11 -173.44 2.6 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.926 1.391 . . . . 0.0 109.23 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -105.15 0.0 OUTLIER 'General case' 0 C--O 1.24 0.605 0 O-C-N 125.018 1.449 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -68.64 72.46 0.36 Allowed Glycine 0 C--N 1.345 1.078 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.532 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.9 p90 31.31 47.94 0.07 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.984 1.049 . . . . 0.0 109.349 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER 23.99 -136.77 0.0 OUTLIER 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.036 1.46 . . . . 0.0 109.247 -179.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.17 164.36 7.31 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.997 1.436 . . . . 0.0 109.406 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' A' ' 12' ' ' PHE . 85.6 mt -135.04 142.74 46.43 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 124.883 1.364 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 p30 -116.71 27.81 8.94 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.95 1.406 . . . . 0.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 42.52 53.4 4.68 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.975 1.422 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.58 70.53 0.01 OUTLIER Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.646 HE21 ' CG1' ' A' ' 51' ' ' VAL . 12.9 pt20 -150.32 143.92 25.2 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.068 1.099 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' C ' ' CG1' ' A' ' 51' ' ' VAL . 2.4 tttp -78.72 133.34 37.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.018 1.448 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.646 ' CG1' HE21 ' A' ' 49' ' ' GLN . 1.7 m -151.12 -175.44 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 125.01 1.443 . . . . 0.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -130.89 173.69 10.72 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 125.024 1.452 . . . . 0.0 109.258 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD2' ' HG3' ' A' ' 5' ' ' MET . 0.1 OUTLIER -152.66 175.48 12.77 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.996 1.435 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.8 t -121.64 29.34 7.22 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.98 1.425 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt 60.83 160.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.603 0 O-C-N 125.034 1.458 . . . . 0.0 109.237 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -179.17 171.75 1.3 Allowed 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.881 1.363 . . . . 0.0 109.342 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.416 ' HA ' ' H ' ' A' ' 63' ' ' ALA . 1.3 t -152.34 133.4 14.24 Favored 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.916 1.385 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.1 -112.58 3.45 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.82 -75.18 0.58 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.994 1.056 . . . . 0.0 109.294 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -98.51 76.04 2.23 Favored 'General case' 0 C--O 1.24 0.564 0 O-C-N 125.06 1.475 . . . . 0.0 109.309 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.66 153.84 9.19 Favored Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 132.27 15.35 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.578 2.852 . . . . 0.0 111.011 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 56' ' ' GLU . . . -95.26 169.36 10.14 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.018 1.449 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -109.97 172.73 6.69 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 125.048 1.467 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.748 ' O ' HG22 ' A' ' 54' ' ' THR . . . -165.81 153.07 22.8 Favored Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 44.0 53.35 6.42 Favored 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.913 1.008 . . . . 0.0 109.24 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.593 ' HA ' ' O ' ' A' ' 52' ' ' SER . 0.2 OUTLIER -86.17 100.03 8.65 Favored 'Isoleucine or valine' 0 C--O 1.239 0.536 0 O-C-N 124.946 1.404 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.25 122.75 32.14 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.958 1.411 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.42 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 96.9 p -74.39 136.88 42.43 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.079 1.487 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.345 0.402 0 O-C-N 125.012 1.445 . . . . 0.0 109.327 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.519 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 139.6 -69.81 0.47 Allowed Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HZ3' ' HB2' ' A' ' 4' ' ' LYS . 8.9 mtmm -108.56 160.09 16.19 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.081 1.106 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.25 170.59 17.56 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.953 1.408 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -63.21 160.45 15.57 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 125.029 1.455 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 170.33 106.56 0.19 Allowed Glycine 0 C--N 1.345 1.081 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.538 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -80.76 132.86 30.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.033 1.078 . . . . 0.0 109.335 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 46' ' ' ASP . 2.8 p -75.58 127.91 37.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 O-C-N 124.94 1.4 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 7.8 mttt -75.53 -84.76 0.05 Allowed 'General case' 0 C--O 1.24 0.567 0 O-C-N 124.915 1.384 . . . . 0.0 109.251 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' C ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -140.89 162.16 36.1 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.992 1.432 . . . . 0.0 109.314 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' HB3' ' CB ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -134.82 157.45 46.74 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.06 1.475 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.656 HD21 ' H ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -158.85 143.11 15.57 Favored 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.977 1.423 . . . . 0.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -114.93 46.44 1.42 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 125.054 1.471 . . . . 0.0 109.22 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HB3' HD21 ' A' ' 13' ' ' ASN . 1.8 t70 -154.78 -64.8 0.13 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.045 1.465 . . . . 0.0 109.256 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.656 ' H ' HD21 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -50.31 -49.89 52.29 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 125.053 1.471 . . . . 0.0 109.327 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.495 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 148.89 44.23 0.03 OUTLIER Glycine 0 C--N 1.345 1.076 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.664 ' CD1' ' CD2' ' A' ' 33' ' ' HIS . 0.6 OUTLIER 83.88 -164.05 0.01 OUTLIER 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.013 1.066 . . . . 0.0 109.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -133.96 -159.39 8.92 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -137.6 160.5 39.01 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.027 1.075 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.554 ' CG2' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -113.49 169.35 5.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 125.007 1.442 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.554 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -139.92 113.45 7.67 Favored Pre-proline 0 C--O 1.239 0.545 0 O-C-N 125.046 1.466 . . . . 0.0 109.257 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 178.77 6.83 Favored 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.583 2.855 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -38.07 -36.89 0.23 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 125.029 1.455 . . . . 0.0 109.303 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.611 ' C ' ' H ' ' A' ' 27' ' ' SER . 43.8 t0 179.24 -111.98 0.0 OUTLIER 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.006 1.441 . . . . 0.0 109.374 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.6 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . 66.19 -36.79 0.15 Allowed Glycine 0 C--N 1.346 1.101 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.611 ' H ' ' C ' ' A' ' 25' ' ' ASP . 4.9 t 100.31 155.76 0.01 OUTLIER 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.902 1.001 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 mttm 80.14 -169.64 0.04 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.958 1.411 . . . . 0.0 109.297 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -152.62 139.34 18.87 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.967 1.417 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -92.98 121.97 44.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.04 1.462 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -42.16 155.04 0.05 OUTLIER 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.005 1.441 . . . . 0.0 109.267 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.439 HG11 ' CG1' ' A' ' 21' ' ' ILE . 1.1 p -156.42 149.84 10.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 O-C-N 124.969 1.418 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.664 ' CD2' ' CD1' ' A' ' 18' ' ' PHE . 38.2 t-80 -151.51 158.27 43.38 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.046 1.466 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.655 ' CE2' ' CE1' ' A' ' 33' ' ' HIS . 6.5 p90 -61.75 174.69 0.76 Allowed 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.112 1.508 . . . . 0.0 109.249 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.2 t 95.0 -38.49 0.01 OUTLIER 'General case' 0 C--O 1.238 0.487 0 O-C-N 124.935 1.397 . . . . 0.0 109.215 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.25 14.17 30.83 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.011 1.445 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' ASN . 1.1 pt -92.96 60.23 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.55 0 O-C-N 124.996 1.435 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.527 ' NE2' ' H ' ' A' ' 38' ' ' GLN . 3.3 mp0 -41.44 95.78 0.01 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.903 1.377 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 37' ' ' ILE . 3.6 t-20 -153.76 44.94 0.6 Allowed 'General case' 0 C--O 1.238 0.492 0 O-C-N 124.936 1.398 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.1 t70 60.12 -95.26 0.05 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.914 1.384 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.549 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . -128.17 -91.31 0.7 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.1 t80 31.26 52.1 0.16 Allowed 'General case' 0 C--O 1.239 0.522 0 O-C-N 125.019 1.07 . . . . 0.0 109.265 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.44 139.56 1.46 Allowed 'General case' 0 C--O 1.241 0.636 0 O-C-N 124.999 1.437 . . . . 0.0 109.317 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 79.46 118.04 0.06 Allowed 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.91 1.381 . . . . 0.0 109.273 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD13 ' H ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -140.49 -170.25 2.96 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.094 1.496 . . . . 0.0 109.258 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.647 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 2.1 t0 84.23 157.07 0.1 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 125.075 1.484 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.647 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 9.7 tt0 138.11 5.65 0.0 OUTLIER 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.049 1.468 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.07 49.29 0.42 Allowed Glycine 0 C--N 1.346 1.103 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -106.46 161.29 14.73 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.038 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -108.03 108.34 19.4 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.981 1.425 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 52' ' ' SER . 1.8 m -126.36 -167.63 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 124.896 1.372 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 51' ' ' VAL . 3.1 m -124.26 178.16 5.49 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.963 1.414 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.506 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 3.8 p90 -166.49 -177.86 4.19 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.939 1.399 . . . . 0.0 109.277 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -139.6 85.26 2.03 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.919 1.387 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.487 HG13 ' CE1' ' A' ' 53' ' ' PHE . 23.1 mt -38.62 107.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 124.918 1.386 . . . . 0.0 109.241 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.88 -170.49 2.19 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.982 1.426 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.3 p -133.84 126.42 30.47 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.855 1.347 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -97.93 -89.35 1.91 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.249 -1.541 . . . . 0.0 109.249 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -109.95 -77.99 0.59 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.078 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.86 76.66 1.74 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.052 1.47 . . . . 0.0 109.266 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.07 159.96 8.46 Favored Glycine 0 C--N 1.346 1.096 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 162.46 36.73 Favored 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.466 2.777 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.18 148.78 27.3 Favored 'General case' 0 C--O 1.239 0.524 0 O-C-N 124.998 1.436 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.96 117.13 34.39 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.007 1.442 . . . . 0.0 109.256 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.633 ' O ' HG22 ' A' ' 54' ' ' THR . . . -112.02 169.95 13.37 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 43.31 58.19 3.5 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.978 1.046 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.02 99.8 7.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.96 1.413 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.1 136.86 46.23 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.985 1.428 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.427 ' HA ' HG12 ' A' ' 51' ' ' VAL . 2.4 p -44.6 161.31 0.03 OUTLIER 'General case' 0 C--O 1.239 0.512 0 O-C-N 124.915 1.385 . . . . 0.0 109.223 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CA ' ' O ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.382 0 O-C-N 125.09 1.494 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 m . . . . . 0 C--O 1.24 0.577 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 151.63 -39.71 0.78 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.67 155.6 22.18 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 125.034 1.079 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.527 ' HG3' ' CD1' ' A' ' 53' ' ' PHE . 2.9 ptp -140.44 147.95 40.45 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 125.041 1.463 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.3 p -59.83 144.28 48.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.941 1.401 . . . . 0.0 109.212 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.28 122.51 0.88 Allowed Glycine 0 C--N 1.347 1.15 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.72 ' O ' HG22 ' A' ' 22' ' ' THR . 0.3 OUTLIER -99.06 135.13 35.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.931 1.018 . . . . 0.0 109.373 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.509 HG13 ' H ' ' A' ' 48' ' ' GLY . 7.8 p -74.72 128.8 36.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.965 1.416 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HB3' ' CD1' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -88.19 -79.31 0.3 Allowed 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.032 1.458 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.511 ' CD1' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -136.36 170.54 15.87 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 45' ' ' LEU . 29.2 p90 -176.66 114.71 0.11 Allowed 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.937 1.398 . . . . 0.0 109.262 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.499 ' HB3' ' CG ' ' A' ' 16' ' ' LYS . 5.2 m-80 -81.8 118.08 22.6 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.977 1.423 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.36 14.48 26.07 Favored 'General case' 0 C--O 1.238 0.491 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -106.54 -45.8 4.16 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.098 1.498 . . . . 0.0 109.37 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.499 ' CG ' ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.5 -37.02 21.82 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.018 1.449 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.461 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . 106.89 69.0 0.69 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' CD2' ' HE3' ' A' ' 16' ' ' LYS . 92.7 m-85 -161.1 149.44 15.94 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.041 1.083 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -137.59 155.3 22.99 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -142.94 123.53 14.06 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 125.055 1.091 . . . . 0.0 109.354 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mt -118.65 145.92 23.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 O-C-N 125.047 1.467 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 8' ' ' ILE . 11.1 t -113.13 142.69 27.8 Favored Pre-proline 0 C--O 1.239 0.529 0 O-C-N 124.993 1.433 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.403 ' HG2' ' H ' ' A' ' 27' ' ' SER . 18.5 Cg_endo -74.97 -160.28 0.1 Allowed 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.492 2.795 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -128.94 -37.38 1.72 Allowed 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.965 1.415 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -97.3 -29.31 13.62 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 125.026 1.454 . . . . 0.0 109.333 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.59 -115.67 0.07 OUTLIER Glycine 0 C--N 1.344 1.019 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.403 ' H ' ' HG2' ' A' ' 23' ' ' PRO . 0.3 OUTLIER 175.65 -70.0 0.01 OUTLIER 'General case' 0 C--O 1.238 0.467 0 O-C-N 124.989 1.052 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 162.36 0.54 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.066 1.479 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.61 137.64 41.39 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 125.044 1.465 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 m -90.71 154.56 3.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 124.907 1.38 . . . . 0.0 109.253 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 18.7 p90 -89.21 140.83 29.07 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.997 1.436 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -160.56 166.63 0.67 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.914 1.384 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.643 ' CE1' ' CZ ' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -111.78 82.08 1.56 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.027 1.455 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.643 ' CZ ' ' CE1' ' A' ' 33' ' ' HIS . 2.3 m-85 77.78 -25.84 0.19 Allowed 'General case' 0 C--O 1.24 0.558 0 O-C-N 125.016 1.448 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.514 ' HB3' HG21 ' A' ' 67' ' ' VAL . 22.7 t 76.22 19.5 1.75 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.96 1.412 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 50.3 56.53 7.79 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.996 1.435 . . . . 0.0 109.294 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.521 ' H ' HD13 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -52.67 -179.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 125.034 1.459 . . . . 0.0 109.256 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -117.27 61.43 0.74 Allowed 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.016 1.447 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -128.56 160.1 33.45 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.997 1.436 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.1 -45.38 2.56 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.916 1.385 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.53 -138.66 0.15 Allowed Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -56.16 120.42 7.51 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.02 1.071 . . . . 0.0 109.305 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -141.87 0.0 OUTLIER 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.969 1.418 . . . . 0.0 109.381 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.54 164.65 0.09 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.057 1.473 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -105.27 -139.88 0.37 Allowed 'General case' 0 C--O 1.241 0.608 0 O-C-N 125.005 1.44 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -125.44 23.72 7.46 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 1.4 tt0 37.37 84.21 0.02 OUTLIER 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.068 1.48 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.509 ' H ' HG13 ' A' ' 9' ' ' VAL . . . 99.13 90.12 2.0 Allowed Glycine 0 C--N 1.345 1.029 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 25.6 tt0 -160.67 146.03 14.58 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 124.985 1.05 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -89.35 124.98 34.93 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 124.995 1.434 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.467 HG21 ' HB ' ' A' ' 67' ' ' VAL . 0.8 OUTLIER -150.23 173.51 1.17 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 125.049 1.468 . . . . 0.0 109.359 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.95 106.7 18.99 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 125.0 1.438 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CD1' ' HG3' ' A' ' 5' ' ' MET . 0.5 OUTLIER -100.51 160.79 14.06 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.97 1.419 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 66' ' ' ASN . 1.6 p -129.41 100.59 5.62 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 125.009 1.443 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.526 HG13 ' CE2' ' A' ' 53' ' ' PHE . 8.9 mt -42.44 157.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.914 1.384 . . . . 0.0 109.236 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -132.33 127.98 36.71 Favored 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.051 1.469 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.9 t -122.0 113.94 20.27 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.897 1.373 . . . . 0.0 109.354 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.66 -41.85 0.33 Allowed Glycine 0 C--N 1.344 1.022 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.19 -74.0 0.04 OUTLIER 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.007 1.063 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.1 -40.75 0.02 OUTLIER 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.963 1.414 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -130.61 -169.98 12.59 Favored Glycine 0 C--N 1.345 1.047 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.91 7.49 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.48 2.787 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . . . -139.92 178.16 7.45 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.949 1.405 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.508 ' H ' ' HB ' ' A' ' 32' ' ' VAL . . . -96.39 -153.05 0.4 Allowed 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.995 1.434 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.426 ' O ' ' OG1' ' A' ' 54' ' ' THR . . . 149.33 133.72 2.24 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.538 ' O ' HG23 ' A' ' 54' ' ' THR . 71.8 m-20 56.54 109.44 0.01 OUTLIER 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.081 1.107 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 35' ' ' SER . 0.9 OUTLIER -139.42 122.23 17.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 O-C-N 124.985 1.428 . . . . 0.0 109.219 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.33 119.44 34.65 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 124.995 1.435 . . . . 0.0 109.256 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.402 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 10.6 p -47.51 134.7 11.85 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.967 1.417 . . . . 0.0 109.218 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.985 1.428 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.239 0.506 0 CA-C-O 118.47 -0.776 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.13 -114.12 0.05 OUTLIER Glycine 0 C--N 1.345 1.046 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.83 -164.68 1.11 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.004 1.061 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 15.4 ptp -165.37 157.25 14.93 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.957 1.41 . . . . 0.0 109.338 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.1 p -90.4 149.74 22.14 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 125.061 1.475 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.46 ' HA3' ' CZ ' ' A' ' 53' ' ' PHE . . . -158.76 -155.02 7.43 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.479 HG22 ' CD ' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -149.37 140.72 17.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 O-C-N 124.986 1.05 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.31 136.3 27.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 O-C-N 125.047 1.467 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.19 -63.73 1.29 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.032 1.457 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.78 162.15 25.75 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.977 1.423 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.682 ' CD2' ' CE1' ' A' ' 34' ' ' PHE . 0.1 OUTLIER -168.52 146.4 4.08 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.019 1.449 . . . . 0.0 109.347 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.5 ' CG ' ' CD ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -123.61 146.99 47.76 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 125.028 1.455 . . . . 0.0 109.342 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 34' ' ' PHE . . . -105.82 -53.38 2.65 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.017 1.448 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -63.65 -6.02 4.83 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.076 1.485 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' CD ' ' CG ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -130.79 -19.59 2.94 Favored 'General case' 0 C--O 1.24 0.558 0 O-C-N 124.918 1.386 . . . . 0.0 109.277 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 13' ' ' ASN . . . 54.33 73.68 0.39 Allowed Glycine 0 C--N 1.346 1.097 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -130.68 31.04 4.59 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.984 1.049 . . . . 0.0 109.391 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.497 ' HA2' ' HB2' ' A' ' 12' ' ' PHE . . . -37.69 101.55 0.01 OUTLIER Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.62 109.83 22.52 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 125.015 1.067 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.496 HG21 ' CE2' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -100.95 176.18 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.601 0 O-C-N 125.025 1.453 . . . . 0.0 109.309 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.463 ' H ' HG22 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -142.65 105.29 5.39 Favored Pre-proline 0 C--O 1.241 0.626 0 O-C-N 124.953 1.408 . . . . 0.0 109.237 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -164.31 0.23 Allowed 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 123.501 2.801 . . . . 0.0 111.005 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -136.59 -1.03 2.32 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 125.033 1.458 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -44.67 -44.62 9.2 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 124.947 1.404 . . . . 0.0 109.288 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.35 44.14 0.05 OUTLIER Glycine 0 C--N 1.345 1.04 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.36 126.05 0.04 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.023 1.072 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 172.48 -172.78 0.04 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.13 1.519 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.54 124.79 5.69 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.007 1.442 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.432 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 3.0 m -101.76 111.64 32.18 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 O-C-N 124.95 1.406 . . . . 0.0 109.358 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -90.41 124.65 35.13 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.042 1.463 . . . . 0.0 109.22 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' CG2' ' HA ' ' A' ' 35' ' ' SER . 1.2 p -160.5 156.38 3.2 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.02 1.45 . . . . 0.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -64.97 83.92 0.04 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.998 1.437 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 12' ' ' PHE . 18.1 m-30 49.89 28.86 3.02 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.086 1.491 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.553 ' CB ' HG23 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 37.84 33.01 0.04 OUTLIER 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.024 1.452 . . . . 0.0 109.346 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' A' ' 37' ' ' ILE . . . 43.26 64.6 1.17 Allowed 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.051 1.469 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -47.22 178.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.967 1.417 . . . . 0.0 109.248 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.519 ' NE2' ' O ' ' A' ' 67' ' ' VAL . 21.5 mm-40 -105.25 32.02 4.51 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 124.892 1.37 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.476 HD22 ' C ' ' A' ' 42' ' ' TYR . 13.0 p-10 -82.13 -176.55 6.22 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -154.46 32.45 0.42 Allowed 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.093 1.496 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 164.39 -34.7 0.28 Allowed Glycine 0 C--N 1.345 1.05 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.551 ' C ' ' H ' ' A' ' 44' ' ' SER . 5.3 m-85 -101.21 88.0 3.38 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.99 1.053 . . . . 0.0 109.303 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.679 ' CE ' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.95 17.72 0.07 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.04 1.462 . . . . 0.0 109.35 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.551 ' H ' ' C ' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -101.23 144.26 30.3 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.955 1.409 . . . . 0.0 109.328 179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.3 tp -116.2 173.41 6.6 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.98 1.425 . . . . 0.0 109.325 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -81.69 89.72 6.28 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.052 1.47 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 47' ' ' GLU . 7.5 pt-20 -50.23 98.42 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.956 1.41 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.04 72.79 1.21 Allowed Glycine 0 C--N 1.345 1.042 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -154.73 155.31 34.32 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.047 1.086 . . . . 0.0 109.252 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' CD ' HG22 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -76.74 114.01 15.03 Favored 'General case' 0 C--O 1.24 0.598 0 O-C-N 125.119 1.512 . . . . 0.0 109.343 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.64 145.91 26.13 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.012 1.445 . . . . 0.0 109.305 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.405 ' CB ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -92.74 174.82 7.06 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.982 1.426 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.496 ' CE2' HG21 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -170.24 -177.56 2.53 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.942 1.401 . . . . 0.0 109.383 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.737 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.0 t -113.47 69.39 0.7 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.068 1.48 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.41 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.9 OUTLIER -34.69 119.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.544 0 O-C-N 125.05 1.469 . . . . 0.0 109.34 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.41 140.27 20.94 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.063 1.477 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 80.02 140.03 0.07 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.033 1.458 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.5 -167.41 24.99 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.279 -1.529 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . 59.1 103.53 0.02 OUTLIER 'General case' 0 C--O 1.241 0.628 0 O-C-N 124.961 1.036 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.0 tptp 96.38 -43.63 0.01 OUTLIER 'General case' 0 C--O 1.239 0.538 0 O-C-N 124.96 1.412 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 179.37 101.82 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 165.56 30.94 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.549 2.833 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.66 -173.84 4.52 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.972 1.42 . . . . 0.0 109.395 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.67 -158.96 0.9 Allowed 'General case' 0 C--O 1.239 0.549 0 O-C-N 125.003 1.439 . . . . 0.0 109.302 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.737 ' O ' HG22 ' A' ' 54' ' ' THR . . . 174.28 173.14 40.06 Favored Glycine 0 C--N 1.345 1.07 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 41.78 77.75 0.05 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.951 1.03 . . . . 0.0 109.338 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.553 HG23 ' CB ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -93.02 161.62 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 124.928 1.392 . . . . 0.0 109.351 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.413 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -145.56 119.21 9.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.064 1.477 . . . . 0.0 109.334 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.63 127.17 31.75 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.983 1.427 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.344 0.352 0 O-C-N 124.975 1.422 . . . . 0.0 109.27 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.24 0.578 0 CA-C-O 118.396 -0.811 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.61 158.45 12.88 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 161.92 1.82 Allowed 'General case' 0 C--O 1.239 0.541 0 O-C-N 124.996 1.056 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.536 ' CE ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -117.02 156.26 27.82 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.964 1.415 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.7 p -76.84 147.85 36.89 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 125.062 1.476 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.592 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . -163.14 106.88 0.29 Allowed Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -84.59 125.43 40.29 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 O-C-N 124.949 1.029 . . . . 0.0 109.356 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.603 ' CG2' ' HB3' ' A' ' 12' ' ' PHE . 3.3 p -65.06 143.8 15.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 124.869 1.356 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 15.8 mmtt -126.63 -66.12 0.93 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.995 1.434 . . . . 0.0 109.333 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.499 ' CZ3' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -126.97 71.95 1.34 Allowed 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.993 1.433 . . . . 0.0 109.244 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.706 ' CG ' ' O ' ' A' ' 12' ' ' PHE . 1.6 p90 -103.85 51.65 0.78 Allowed 'General case' 0 C--O 1.241 0.629 0 O-C-N 124.986 1.429 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -37.63 97.77 0.01 OUTLIER 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.861 1.351 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.22 62.38 0.93 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.948 1.405 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -159.53 -72.07 0.08 Allowed 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.044 1.465 . . . . 0.0 109.338 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 3.8 ptmt -130.8 -40.76 1.19 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.995 1.434 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' O ' ' CD2' ' A' ' 18' ' ' PHE . . . -52.37 -15.87 3.08 Favored Glycine 0 C--N 1.345 1.044 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 12.0 m-85 78.67 -159.42 0.03 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.0 1.059 . . . . 0.0 109.274 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.402 ' HA2' ' HB2' ' A' ' 12' ' ' PHE . . . -109.05 142.0 16.06 Favored Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' HE1' ' CB ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -149.94 113.85 5.09 Favored 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.893 0.996 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 22' ' ' THR . 66.5 mt -114.0 164.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 124.942 1.401 . . . . 0.0 109.284 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -109.47 116.82 54.09 Favored Pre-proline 0 C--O 1.238 0.494 0 O-C-N 125.026 1.454 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD3' HG12 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.85 -159.48 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.557 2.838 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 25' ' ' ASP . 18.9 p-10 -147.2 -11.04 0.43 Allowed 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.889 1.368 . . . . 0.0 109.179 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 24' ' ' ASP . 59.1 m-20 -130.02 -72.52 0.57 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.908 1.38 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.19 84.06 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p 57.72 -150.77 0.43 Allowed 'General case' 0 C--O 1.24 0.603 0 O-C-N 124.947 1.028 . . . . 0.0 109.352 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' HA ' ' HD2' ' A' ' 23' ' ' PRO . 0.4 OUTLIER -138.16 48.03 1.98 Allowed 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.878 1.361 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' CB ' ' HE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -162.52 145.88 11.41 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.098 1.499 . . . . 0.0 109.271 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG12 ' HD3' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -163.55 109.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.541 0 O-C-N 125.069 1.481 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.536 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -68.61 143.51 54.82 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 124.968 1.418 . . . . 0.0 109.243 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.591 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -145.78 170.94 5.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 124.949 1.406 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.591 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 4.4 m-70 -136.82 142.51 42.89 Favored 'General case' 0 C--O 1.238 0.5 0 O-C-N 125.048 1.467 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -57.6 -171.85 0.01 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.033 1.458 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.9 m 68.03 6.72 5.36 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.949 1.405 . . . . 0.0 109.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.62 -18.58 9.0 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 124.937 1.398 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.503 ' CG1' ' O ' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -71.07 60.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.511 0 O-C-N 124.952 1.407 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 35.6 40.3 0.08 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.015 1.447 . . . . 0.0 109.258 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 4.6 p-10 42.39 -160.39 0.01 OUTLIER 'General case' 0 C--O 1.242 0.658 0 O-C-N 125.054 1.471 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.559 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER 145.63 -52.24 0.01 OUTLIER 'General case' 0 C--O 1.238 0.499 0 O-C-N 124.901 1.376 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.06 -76.64 0.31 Allowed Glycine 0 C--N 1.346 1.108 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -67.98 119.98 13.49 Favored 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.075 1.103 . . . . 0.0 109.267 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -40.73 101.72 0.02 OUTLIER 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.005 1.44 . . . . 0.0 109.321 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.869 ' O ' ' O ' ' A' ' 45' ' ' LEU . 63.4 m -68.53 -154.81 0.02 OUTLIER 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.985 1.428 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.869 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 32.18 117.95 0.0 OUTLIER 'General case' 0 C--O 1.239 0.535 0 O-C-N 124.953 1.408 . . . . 0.0 109.322 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.0 47.12 1.43 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.038 1.461 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 72.28 89.64 0.1 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.023 1.452 . . . . 0.0 109.337 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.459 ' H ' HG13 ' A' ' 9' ' ' VAL . . . 106.78 100.27 2.65 Favored Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.9 tt0 -172.13 127.82 0.58 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 125.074 1.102 . . . . 0.0 109.358 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.495 ' HG3' ' HZ2' ' A' ' 50' ' ' LYS . 6.5 tttp -75.56 123.33 25.3 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.974 1.421 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.49 ' HA ' ' H ' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -145.09 145.46 20.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 125.06 1.475 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.53 137.91 31.9 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.056 1.472 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.592 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -129.12 -164.99 1.45 Allowed 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.939 1.4 . . . . 0.0 109.262 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.2 t -127.1 64.29 1.31 Allowed 'General case' 0 C--O 1.239 0.552 0 O-C-N 125.009 1.443 . . . . 0.0 109.267 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.492 HG13 ' CE1' ' A' ' 53' ' ' PHE . 8.7 mt -38.38 114.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.589 0 O-C-N 124.997 1.435 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -138.34 163.68 31.22 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.989 1.431 . . . . 0.0 109.228 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -105.44 135.67 46.4 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.921 1.388 . . . . 0.0 109.246 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -155.49 161.91 30.8 Favored Glycine 0 C--N 1.345 1.072 0 N-CA-C 109.318 -1.513 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 59.42 -86.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.517 0 O-C-N 124.904 1.002 . . . . 0.0 109.346 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 -42.33 0.18 Allowed 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -97.03 -162.61 32.08 Favored Glycine 0 C--N 1.346 1.1 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -177.39 3.41 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.578 2.852 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.523 ' HA ' ' CE2' ' A' ' 31' ' ' PHE . . . -167.96 161.58 12.94 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.09 1.494 . . . . 0.0 109.311 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.503 ' CB ' ' HB ' ' A' ' 32' ' ' VAL . . . -112.19 -147.43 0.42 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.907 1.379 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.595 ' O ' HG22 ' A' ' 54' ' ' THR . . . 133.45 170.06 12.3 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 109.27 -1.532 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.9 m-20 26.79 80.79 0.02 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.953 1.031 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.45 HG22 ' HB3' ' A' ' 53' ' ' PHE . 0.9 OUTLIER -103.98 153.36 6.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 O-C-N 125.004 1.44 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.4 121.79 6.79 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 124.936 1.398 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.594 ' O ' ' C ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -51.71 123.86 11.08 Favored 'General case' 0 C--O 1.24 0.555 0 O-C-N 124.977 1.423 . . . . 0.0 109.232 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 69' ' ' SER . 0.6 OUTLIER . . . . . 0 C--N 1.345 0.389 0 O-C-N 124.909 1.38 . . . . 0.0 109.259 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 C--O 1.24 0.599 0 CA-C-O 118.325 -0.845 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.35 136.53 2.26 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -85.94 -178.91 6.69 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 125.057 1.092 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.439 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -70.68 126.15 28.81 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.056 1.472 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.0 p -83.92 157.97 21.75 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 125.082 1.488 . . . . 0.0 109.205 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' HA3' ' CE1' ' A' ' 53' ' ' PHE . . . 175.56 138.46 2.81 Favored Glycine 0 C--N 1.346 1.131 0 N-CA-C 109.218 -1.553 . . . . 0.0 109.218 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.501 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -94.89 166.66 1.76 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.497 0 O-C-N 124.971 1.042 . . . . 0.0 109.221 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.566 ' HB ' ' CG ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -110.39 146.41 15.64 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 O-C-N 125.013 1.446 . . . . 0.0 109.309 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -115.79 -58.96 2.05 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.936 1.398 . . . . 0.0 109.22 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -123.17 131.05 53.54 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 125.061 1.476 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.98 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -107.49 152.92 23.58 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.944 1.403 . . . . 0.0 109.321 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.524 ' C ' ' CE2' ' A' ' 34' ' ' PHE . 6.1 m-80 -142.86 105.63 4.51 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 124.993 1.433 . . . . 0.0 109.264 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.484 ' HB2' ' CE2' ' A' ' 12' ' ' PHE . . . -105.41 10.12 33.45 Favored 'General case' 0 C--O 1.241 0.63 0 O-C-N 124.942 1.401 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.59 -31.52 41.82 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 125.03 1.456 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -130.39 -19.66 3.07 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.988 1.43 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.06 64.88 1.34 Allowed Glycine 0 CA--C 1.531 1.076 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 19' ' ' GLY . 3.9 m-85 -145.41 35.13 1.07 Allowed 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.053 1.09 . . . . 0.0 109.28 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.562 ' HA3' ' CE1' ' A' ' 34' ' ' PHE . . . -33.57 130.05 0.39 Allowed Glycine 0 C--N 1.344 1.015 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.62 110.45 21.6 Favored 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.046 1.086 . . . . 0.0 109.357 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.584 HG13 ' CG1' ' A' ' 32' ' ' VAL . 1.2 mt -100.7 163.42 3.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 125.032 1.458 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -128.04 112.52 20.16 Favored Pre-proline 0 C--O 1.239 0.526 0 O-C-N 124.92 1.388 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -175.55 2.39 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.523 2.815 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -94.94 -39.5 10.17 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 125.045 1.466 . . . . 0.0 109.254 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -165.04 -1.88 0.03 OUTLIER 'General case' 0 C--O 1.241 0.611 0 O-C-N 125.068 1.48 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.52 76.75 2.2 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 109.199 -1.56 . . . . 0.0 109.199 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.85 -164.15 0.04 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 125.063 1.096 . . . . 0.0 109.323 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.95 -169.9 1.62 Allowed 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.032 1.457 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.27 128.8 4.8 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.007 1.442 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.5 m -119.04 141.17 40.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 124.976 1.422 . . . . 0.0 109.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CZ ' ' O ' ' A' ' 62' ' ' PRO . 17.4 p90 -89.98 151.85 21.48 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.584 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -153.17 145.71 14.87 Favored 'Isoleucine or valine' 0 C--O 1.24 0.59 0 O-C-N 124.935 1.397 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.437 ' C ' ' H ' ' A' ' 35' ' ' SER . 0.9 OUTLIER -80.62 132.26 35.6 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.024 1.453 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.98 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 19.0 m-30 -71.54 44.8 0.1 Allowed 'General case' 0 C--O 1.241 0.621 0 O-C-N 125.044 1.465 . . . . 0.0 109.233 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 33' ' ' HIS . 2.0 t -108.29 -2.55 19.16 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 125.075 1.484 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 24.11 3.94 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.96 1.413 . . . . 0.0 109.229 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.63 60.74 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 124.914 1.383 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' H ' HE21 ' A' ' 38' ' ' GLN . 0.5 OUTLIER -42.68 97.72 0.01 OUTLIER 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.997 1.436 . . . . 0.0 109.331 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 162.16 102.0 0.0 OUTLIER 'General case' 0 C--O 1.24 0.593 0 O-C-N 124.981 1.425 . . . . 0.0 109.262 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -86.84 122.89 31.34 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.063 1.477 . . . . 0.0 109.328 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 168.89 -142.56 7.46 Favored Glycine 0 C--N 1.346 1.087 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -58.32 120.28 8.44 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 124.965 1.038 . . . . 0.0 109.346 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -68.62 72.44 0.22 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.995 1.434 . . . . 0.0 109.362 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -170.1 129.09 0.9 Allowed 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.017 1.448 . . . . 0.0 109.28 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.0 -167.5 1.64 Allowed 'General case' 0 C--O 1.241 0.642 0 O-C-N 125.044 1.465 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.566 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 3.0 m-20 58.6 -176.44 0.08 Allowed 'General case' 0 C--O 1.239 0.505 0 O-C-N 124.988 1.43 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 46' ' ' ASP . 29.6 tt0 89.48 29.28 0.02 OUTLIER 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.095 1.497 . . . . 0.0 109.344 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.82 73.67 1.27 Allowed Glycine 0 CA--C 1.531 1.083 0 N-CA-C 109.179 -1.569 . . . . 0.0 109.179 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' HG3' ' CG1' ' A' ' 51' ' ' VAL . 1.4 tp-100 -148.54 124.54 10.68 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.998 1.058 . . . . 0.0 109.389 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -81.77 114.52 20.46 Favored 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.957 1.411 . . . . 0.0 109.306 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.426 ' CG1' ' HG3' ' A' ' 49' ' ' GLN . 2.7 m -120.74 -168.98 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.886 1.366 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.15 140.88 25.7 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 125.024 1.453 . . . . 0.0 109.371 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.471 ' CE1' ' HA3' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -134.34 -157.21 0.79 Allowed 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.005 1.441 . . . . 0.0 109.414 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.6 t -143.28 27.69 1.56 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.054 1.471 . . . . 0.0 109.385 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.524 ' CG2' ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER 52.42 169.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 124.932 1.395 . . . . 0.0 109.21 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.524 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.1 mm-40 -145.26 -139.57 0.1 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.89 1.369 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 80.29 104.4 0.07 Allowed 'General case' 0 C--O 1.239 0.537 0 O-C-N 125.002 1.438 . . . . 0.0 109.204 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.02 -34.07 1.42 Allowed Glycine 0 C--N 1.345 1.045 0 N-CA-C 109.379 -1.489 . . . . 0.0 109.379 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.82 -41.17 3.62 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 124.994 1.055 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' HG2' ' H ' ' A' ' 61' ' ' GLY . 0.0 OUTLIER -179.2 -58.42 0.01 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.085 1.49 . . . . 0.0 109.348 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.457 ' H ' ' HG2' ' A' ' 60' ' ' LYS . . . -52.63 112.04 1.92 Allowed Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.488 ' O ' ' CZ ' ' A' ' 31' ' ' PHE . 18.6 Cg_endo -74.87 162.17 37.82 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.568 2.845 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' HB2' ' CE1' ' A' ' 31' ' ' PHE . . . -174.41 -160.31 0.1 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 124.987 1.429 . . . . 0.0 109.284 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' HB3' ' HB ' ' A' ' 32' ' ' VAL . . . -145.02 147.91 33.14 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.919 1.387 . . . . 0.0 109.357 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.605 ' O ' HG22 ' A' ' 54' ' ' THR . . . -126.69 160.78 21.04 Favored Glycine 0 C--N 1.345 1.052 0 N-CA-C 109.244 -1.543 . . . . 0.0 109.244 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 46.86 64.73 1.43 Allowed 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.995 1.056 . . . . 0.0 109.355 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.82 112.98 25.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 O-C-N 124.977 1.423 . . . . 0.0 109.374 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.88 136.26 54.13 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.995 1.434 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.4 p -70.52 127.61 33.31 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.957 1.41 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.345 0.403 0 O-C-N 124.975 1.422 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.239 0.515 0 CA-C-O 118.392 -0.813 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.59 -159.72 13.66 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.48 162.55 15.67 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.015 1.067 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -112.29 136.61 51.52 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 124.99 1.431 . . . . 0.0 109.274 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' CE1' ' A' ' 53' ' ' PHE . 31.6 p -79.85 161.2 25.75 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 124.927 1.392 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.515 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 174.46 127.64 1.02 Allowed Glycine 0 C--N 1.346 1.099 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.559 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -91.49 144.48 9.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 125.047 1.086 . . . . 0.0 109.355 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.412 ' CG2' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -104.13 160.34 4.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.066 1.479 . . . . 0.0 109.32 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HB2' ' CZ3' ' A' ' 11' ' ' TRP . 9.7 mtmt -158.46 -23.3 0.08 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.942 1.402 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.513 ' CZ3' ' HB2' ' A' ' 10' ' ' LYS . 7.9 m-90 -94.92 25.21 4.26 Favored 'General case' 0 C--O 1.241 0.643 0 O-C-N 125.036 1.46 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CZ ' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -80.25 136.65 36.5 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 125.013 1.446 . . . . 0.0 109.357 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.585 ' ND2' ' H ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -143.14 115.04 8.25 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.984 1.427 . . . . 0.0 109.288 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.18 22.66 13.67 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 125.033 1.458 . . . . 0.0 109.224 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.585 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 3.0 t0 -88.23 -45.15 10.31 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.975 1.422 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -106.6 -30.42 9.03 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.032 1.457 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 18' ' ' PHE . . . 109.53 55.0 0.56 Allowed Glycine 0 C--N 1.346 1.092 0 N-CA-C 109.293 -1.523 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.447 ' CG ' ' O ' ' A' ' 17' ' ' GLY . 23.1 m-85 -169.21 157.46 7.66 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.001 1.059 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.91 -179.23 47.16 Favored Glycine 0 C--N 1.345 1.059 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 31' ' ' PHE . 10.0 m-85 -137.47 161.15 37.13 Favored 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.084 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.53 ' HB ' ' CG2' ' A' ' 30' ' ' VAL . 2.6 mt -122.08 158.8 25.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 O-C-N 125.038 1.461 . . . . 0.0 109.251 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.4 113.92 36.63 Favored Pre-proline 0 C--O 1.24 0.567 0 O-C-N 125.064 1.478 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.3 Cg_endo -74.99 104.02 1.83 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.506 2.804 . . . . 0.0 110.996 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -48.65 -36.74 16.57 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 124.969 1.418 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -82.32 -35.38 27.99 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 125.031 1.457 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.502 ' H ' ' HB2' ' A' ' 23' ' ' PRO . . . -84.08 -135.24 2.87 Favored Glycine 0 C--N 1.345 1.051 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.0 p -169.41 -40.8 0.02 OUTLIER 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.002 1.06 . . . . 0.0 109.374 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.24 -169.84 0.01 OUTLIER 'General case' 0 C--O 1.241 0.605 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -129.68 112.03 13.26 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 124.988 1.43 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.53 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 27.4 m -78.01 132.09 33.23 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 O-C-N 125.002 1.438 . . . . 0.0 109.381 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 20' ' ' PHE . 1.9 p90 -85.9 133.75 33.93 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 125.02 1.45 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -150.56 166.2 2.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 125.01 1.443 . . . . 0.0 109.304 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -111.6 128.58 56.09 Favored 'General case' 0 C--O 1.24 0.586 0 O-C-N 124.962 1.414 . . . . 0.0 109.384 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.453 ' CE1' ' HE3' ' A' ' 43' ' ' LYS . 97.2 m-85 56.38 23.97 7.91 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 125.079 1.487 . . . . 0.0 109.293 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.465 ' O ' HG21 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 73.01 24.18 2.58 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.027 1.455 . . . . 0.0 109.266 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 37.23 35.43 0.05 OUTLIER 'General case' 0 C--O 1.24 0.561 0 O-C-N 125.05 1.469 . . . . 0.0 109.25 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' CG2' HD13 ' A' ' 45' ' ' LEU . 4.3 pt -53.72 179.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.578 0 O-C-N 125.053 1.47 . . . . 0.0 109.289 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.11 41.74 1.42 Allowed 'General case' 0 C--O 1.239 0.532 0 O-C-N 124.951 1.407 . . . . 0.0 109.34 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.97 151.09 19.36 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 125.064 1.477 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.37 117.09 15.79 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.022 1.451 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 63.03 -98.0 0.21 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.541 ' C ' ' O ' ' A' ' 41' ' ' GLY . 7.4 m-85 31.1 72.63 0.06 Allowed 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.989 1.053 . . . . 0.0 109.28 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.51 ' N ' ' CD ' ' A' ' 43' ' ' LYS . 2.2 mmtm -59.92 91.93 0.02 OUTLIER 'General case' 0 C--O 1.24 0.574 0 O-C-N 124.917 1.385 . . . . 0.0 109.229 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.868 ' O ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -113.92 -156.14 0.59 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.976 1.423 . . . . 0.0 109.366 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.868 ' O ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 32.28 118.15 0.0 OUTLIER 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.929 1.393 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -84.83 -152.99 0.15 Allowed 'General case' 0 C--O 1.239 0.521 0 O-C-N 125.01 1.444 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 3.5 pt-20 -99.33 80.11 2.38 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.025 1.453 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.65 65.62 0.04 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 109.311 -1.516 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 5.9 mt-30 -135.77 141.99 44.87 Favored 'General case' 0 C--O 1.24 0.579 0 O-C-N 125.091 1.112 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -91.57 121.95 33.71 Favored 'General case' 0 C--O 1.241 0.64 0 O-C-N 125.006 1.441 . . . . 0.0 109.349 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.37 165.7 20.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 O-C-N 124.958 1.411 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.486 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -102.69 119.31 38.61 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 125.03 1.456 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.636 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -106.01 -166.7 1.22 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.963 1.414 . . . . 0.0 109.251 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 55' ' ' ILE . 2.8 t -121.76 29.4 7.16 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.054 1.472 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.64 ' C ' ' O ' ' A' ' 54' ' ' THR . 75.0 mt 5.31 93.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.529 0 O-C-N 124.981 1.425 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.63 170.49 15.72 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.096 1.498 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.4 p -115.23 139.79 49.65 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 124.965 1.416 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.39 -88.52 1.25 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -133.2 85.7 2.24 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 124.97 1.041 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 85.92 -31.68 0.05 Allowed 'General case' 0 C--O 1.24 0.59 0 O-C-N 125.002 1.439 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -108.55 175.27 19.42 Favored Glycine 0 C--N 1.345 1.038 0 N-CA-C 109.346 -1.501 . . . . 0.0 109.346 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' CE2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.02 -175.83 2.57 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.569 2.846 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 175.87 163.84 0.35 Allowed 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.014 1.446 . . . . 0.0 109.34 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.5 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -119.58 -149.13 0.43 Allowed 'General case' 0 C--O 1.241 0.641 0 O-C-N 124.971 1.419 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.863 ' O ' ' HB2' ' A' ' 66' ' ' ASN . . . 131.42 94.28 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.863 ' HB2' ' O ' ' A' ' 65' ' ' GLY . 77.0 m-20 102.48 69.89 0.0 OUTLIER 'General case' 0 C--O 1.24 0.557 0 O-C-N 125.075 1.103 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.636 ' CG1' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -113.22 132.88 60.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 125.097 1.498 . . . . 0.0 109.331 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.97 119.98 38.36 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 125.017 1.448 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 p -52.14 148.31 6.47 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 125.079 1.487 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.405 ' HG ' ' HD2' ' A' ' 50' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.4 0 O-C-N 124.992 1.432 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.241 0.608 0 CA-C-O 118.382 -0.818 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.22 -116.25 4.5 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 162.24 17.73 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 125.003 1.061 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.404 ' SD ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -138.97 144.98 39.19 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.047 1.467 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -82.25 158.59 23.45 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.992 1.433 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.499 ' HA3' ' CE2' ' A' ' 53' ' ' PHE . . . 176.02 130.03 1.29 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.59 144.96 8.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 124.988 1.051 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.496 HG23 ' CG1' ' A' ' 21' ' ' ILE . 3.5 p -86.37 146.43 6.43 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 O-C-N 125.044 1.465 . . . . 0.0 109.433 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mttt -116.94 -37.25 3.63 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.975 1.422 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' PHE . 0.7 OUTLIER -152.01 146.3 25.47 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.295 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.586 ' CD2' ' O ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER 172.35 154.09 0.08 Allowed 'General case' 0 C--O 1.241 0.607 0 O-C-N 124.928 1.392 . . . . 0.0 109.352 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.768 ' H ' ' CA ' ' A' ' 18' ' ' PHE . 5.6 t-20 78.4 -169.67 0.05 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.934 1.396 . . . . 0.0 109.335 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.659 ' C ' ' H ' ' A' ' 16' ' ' LYS . . . 44.35 18.61 0.02 OUTLIER 'General case' 0 C--O 1.24 0.586 0 O-C-N 125.054 1.471 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' N ' ' C ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER 63.61 -14.95 0.07 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 124.976 1.423 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.659 ' H ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -50.92 -22.91 2.48 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.946 1.404 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.427 ' H ' ' H ' ' A' ' 18' ' ' PHE . . . -174.89 -14.81 0.02 OUTLIER Glycine 0 C--N 1.346 1.116 0 N-CA-C 109.239 -1.544 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.768 ' CA ' ' H ' ' A' ' 13' ' ' ASN . 5.5 m-85 63.8 -78.68 0.03 OUTLIER 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.025 1.074 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.486 ' CA ' HG13 ' A' ' 32' ' ' VAL . . . -124.22 113.55 2.06 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CB ' ' O ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -151.38 108.84 3.61 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 125.02 1.07 . . . . 0.0 109.339 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CG1' HG23 ' A' ' 9' ' ' VAL . 11.5 mt -124.39 159.92 29.61 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 O-C-N 124.984 1.427 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 0.9 OUTLIER -130.02 139.78 36.66 Favored Pre-proline 0 C--O 1.239 0.542 0 O-C-N 125.032 1.458 . . . . 0.0 109.253 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 18.3 Cg_endo -75.06 -177.6 3.6 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 123.471 2.781 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -41.42 -34.62 0.56 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.033 1.458 . . . . 0.0 109.396 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 26' ' ' GLY . 2.4 p-10 173.82 -110.46 0.0 OUTLIER 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.007 1.442 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . 62.95 -79.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.081 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 0.4 OUTLIER 159.53 170.67 0.01 OUTLIER 'General case' 0 C--O 1.241 0.614 0 O-C-N 125.041 1.083 . . . . 0.0 109.429 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mptt 65.76 -175.11 0.18 Allowed 'General case' 0 C--O 1.24 0.58 0 O-C-N 124.968 1.417 . . . . 0.0 109.313 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -160.04 129.56 5.21 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 125.0 1.437 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.43 ' H ' HG22 ' A' ' 30' ' ' VAL . 1.9 m -71.86 119.77 18.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 O-C-N 125.117 1.511 . . . . 0.0 109.231 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE1' ' O ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -85.62 162.43 18.84 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 125.006 1.441 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' CG1' ' HB3' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -160.51 170.02 0.46 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.558 0 O-C-N 125.005 1.44 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 39.9 t60 -142.24 145.48 34.12 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.011 1.444 . . . . 0.0 109.398 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.545 ' O ' ' CB ' ' A' ' 35' ' ' SER . 7.4 m-85 -42.44 158.7 0.03 OUTLIER 'General case' 0 C--O 1.24 0.592 0 O-C-N 124.934 1.396 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 34' ' ' PHE . 2.3 t 94.95 -14.32 0.1 Allowed 'General case' 0 C--O 1.24 0.587 0 O-C-N 125.02 1.45 . . . . 0.0 109.311 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.42 14.95 7.16 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 125.023 1.452 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.685 HG12 ' H ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -98.94 179.66 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.555 0 O-C-N 125.019 1.449 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.685 ' H ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -118.39 99.36 6.79 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.975 1.422 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 178.02 159.13 0.48 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.985 1.428 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -143.57 122.26 12.58 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 125.034 1.459 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.548 ' O ' ' C ' ' A' ' 42' ' ' TYR . . . 85.6 143.81 7.04 Favored Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.296 -1.521 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER 31.11 62.74 0.22 Allowed 'General case' 0 C--O 1.24 0.579 0 O-C-N 124.952 1.03 . . . . 0.0 109.246 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.416 ' HG3' ' H ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -73.51 105.28 4.79 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 124.952 1.408 . . . . 0.0 109.332 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -170.25 129.35 0.89 Allowed 'General case' 0 C--O 1.241 0.628 0 O-C-N 125.0 1.438 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 12' ' ' PHE . 8.0 tp -101.56 173.81 6.25 Favored 'General case' 0 C--O 1.24 0.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.78 124.18 48.43 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 125.017 1.448 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -52.6 107.5 0.22 Allowed 'General case' 0 C--O 1.24 0.6 0 O-C-N 124.911 1.382 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 85.57 1.88 Allowed Glycine 0 C--N 1.346 1.086 0 N-CA-C 109.291 -1.523 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' CG ' ' N ' ' A' ' 50' ' ' LYS . 38.2 tt0 -160.81 162.42 32.29 Favored 'General case' 0 C--O 1.24 0.554 0 O-C-N 125.087 1.11 . . . . 0.0 109.244 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -91.38 118.71 30.76 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 124.985 1.428 . . . . 0.0 109.223 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 69' ' ' SER . 4.4 m -127.64 -161.57 0.31 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.573 0 O-C-N 124.953 1.408 . . . . 0.0 109.358 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.524 ' HB2' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -144.77 176.82 9.16 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 125.046 1.466 . . . . 0.0 109.344 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.499 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 0.7 OUTLIER -168.76 -156.6 0.17 Allowed 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.985 1.428 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 65' ' ' GLY . 2.4 t -152.48 29.61 0.54 Allowed 'General case' 0 C--O 1.239 0.507 0 O-C-N 125.013 1.445 . . . . 0.0 109.255 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 54' ' ' THR . 5.5 mt 31.07 90.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.574 0 O-C-N 125.054 1.471 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.519 ' HG2' ' H ' ' A' ' 65' ' ' GLY . 1.7 mm-40 -65.81 -139.01 0.0 OUTLIER 'General case' 0 C--O 1.239 0.513 0 O-C-N 124.976 1.422 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.544 ' CA ' ' HA ' ' A' ' 62' ' ' PRO . 1.3 p 80.94 120.53 0.05 OUTLIER 'General case' 0 C--O 1.241 0.626 0 O-C-N 124.977 1.423 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' H ' ' H ' ' A' ' 59' ' ' ALA . . . -161.26 -19.44 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -122.96 27.09 7.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.989 1.052 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER 90.8 -19.03 0.15 Allowed 'General case' 0 C--O 1.239 0.533 0 O-C-N 125.03 1.456 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.29 106.44 2.76 Favored Glycine 0 C--N 1.345 1.033 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.544 ' HA ' ' CA ' ' A' ' 57' ' ' SER . 18.1 Cg_endo -75.05 175.18 11.58 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.562 2.841 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 56' ' ' GLU . . . 177.36 -161.53 0.03 OUTLIER 'General case' 0 C--O 1.238 0.494 0 O-C-N 124.947 1.405 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.564 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . . . -138.71 102.02 4.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.036 1.46 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.525 ' O ' ' C ' ' A' ' 66' ' ' ASN . . . -97.27 -177.28 34.52 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 125.13 1.519 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.525 ' C ' ' O ' ' A' ' 65' ' ' GLY . 72.6 m-20 25.69 57.97 0.06 Allowed 'General case' 0 C--O 1.241 0.623 0 O-C-N 124.966 1.039 . . . . 0.0 109.259 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' N ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -85.03 168.23 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 124.987 1.429 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.529 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -167.19 129.76 1.71 Allowed 'General case' 0 C--O 1.241 0.606 0 O-C-N 125.048 1.468 . . . . 0.0 109.34 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.506 ' CB ' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -80.87 130.77 35.22 Favored 'General case' 0 C--O 1.241 0.619 0 O-C-N 125.021 1.451 . . . . 0.0 109.324 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.5 mt . . . . . 0 C--N 1.345 0.386 0 O-C-N 125.044 1.465 . . . . 0.0 109.335 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--O 1.24 0.553 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -136.4 158.71 24.15 Favored Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -87.37 -169.9 2.81 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.97 1.041 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.437 ' CG ' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -122.03 143.97 49.18 Favored 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.024 1.452 . . . . 0.0 109.32 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.9 p -83.5 139.55 32.84 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 124.993 1.433 . . . . 0.0 109.245 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.507 ' O ' ' CG2' ' A' ' 51' ' ' VAL . . . -172.6 113.81 0.49 Allowed Glycine 0 C--N 1.346 1.09 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.623 ' HA ' ' O ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -73.58 138.83 20.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 125.011 1.065 . . . . 0.0 109.353 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.481 ' CG1' HG21 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -94.24 145.3 8.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 O-C-N 125.05 1.469 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -92.18 -48.39 6.73 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.997 1.435 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.583 ' CZ3' ' CG ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -122.63 164.61 17.9 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.964 1.415 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -174.36 117.06 0.21 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 124.986 1.429 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -146.06 138.98 25.73 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.961 1.413 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.523 ' CB ' ' CE1' ' A' ' 34' ' ' PHE . . . -107.84 33.36 4.13 Favored 'General case' 0 C--O 1.239 0.536 0 O-C-N 125.076 1.485 . . . . 0.0 109.429 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -56.33 1.05 Allowed 'General case' 0 C--O 1.239 0.506 0 O-C-N 124.924 1.39 . . . . 0.0 109.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.686 ' H ' ' CD ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -59.49 -60.89 3.13 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.017 1.448 . . . . 0.0 109.349 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' C ' ' CG ' ' A' ' 18' ' ' PHE . . . 166.03 62.81 0.03 OUTLIER Glycine 0 C--N 1.345 1.032 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.502 ' CD1' ' HB3' ' A' ' 33' ' ' HIS . 0.3 OUTLIER 72.15 -159.69 0.11 Allowed 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.093 1.114 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.93 -177.87 24.35 Favored Glycine 0 C--N 1.344 1.008 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.583 ' CG ' ' CZ3' ' A' ' 11' ' ' TRP . 4.5 m-85 -115.46 140.63 48.97 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 124.968 1.04 . . . . 0.0 109.282 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.564 HG13 ' CG1' ' A' ' 32' ' ' VAL . 2.8 mt -98.48 164.39 2.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 O-C-N 125.054 1.471 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -125.88 90.35 50.55 Favored Pre-proline 0 C--O 1.239 0.521 0 O-C-N 125.039 1.462 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 141.64 27.25 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 123.549 2.833 . . . . 0.0 111.039 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 25' ' ' ASP . 1.1 p-10 -58.87 -92.64 0.0 OUTLIER 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.025 1.453 . . . . 0.0 109.33 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.444 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 51.4 m-20 39.24 -101.73 0.03 OUTLIER 'General case' 0 C--O 1.24 0.585 0 O-C-N 125.08 1.488 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' SER . . . -139.45 38.32 1.65 Allowed Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.5 p 91.19 -159.94 0.01 OUTLIER 'General case' 0 C--O 1.24 0.578 0 O-C-N 125.031 1.077 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 27' ' ' SER . 1.1 tttt 95.46 -176.06 0.01 OUTLIER 'General case' 0 C--O 1.241 0.623 0 O-C-N 125.0 1.438 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.419 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 1.2 p30 -160.1 156.68 27.23 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 124.94 1.4 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 64' ' ' ALA . 0.1 OUTLIER -131.75 152.03 36.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 O-C-N 125.002 1.439 . . . . 0.0 109.338 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -90.13 128.01 36.23 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.993 1.433 . . . . 0.0 109.211 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.564 ' CG1' HG13 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -160.64 158.8 2.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 O-C-N 125.054 1.471 . . . . 0.0 109.266 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.502 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -109.3 -156.52 0.59 Allowed 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.952 1.407 . . . . 0.0 109.285 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CE1' ' CB ' ' A' ' 14' ' ' ALA . 1.4 p90 -117.7 23.49 11.68 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 124.981 1.426 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 1.6 t -98.97 -17.26 18.41 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 124.96 1.413 . . . . 0.0 109.282 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.32 14.46 22.3 Favored 'General case' 0 C--O 1.241 0.613 0 O-C-N 124.97 1.419 . . . . 0.0 109.234 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 pp -72.32 -179.73 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.554 0 O-C-N 125.038 1.461 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.699 HE21 ' HB ' ' A' ' 68' ' ' THR . 2.8 mp0 -129.38 81.62 2.03 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.012 1.445 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -169.5 154.21 5.52 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 125.002 1.439 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -126.93 91.58 3.36 Favored 'General case' 0 C--O 1.239 0.532 0 O-C-N 125.056 1.472 . . . . 0.0 109.371 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.24 -104.26 0.27 Allowed Glycine 0 CA--C 1.531 1.092 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 44' ' ' SER . 7.2 t80 -67.61 84.82 0.19 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.123 1.131 . . . . 0.0 109.281 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 84.53 4.23 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.961 1.413 . . . . 0.0 109.299 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.443 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 27.1 m -170.12 148.7 3.41 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 124.908 1.38 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.2 mt -114.46 -162.48 0.82 Allowed 'General case' 0 C--O 1.24 0.572 0 O-C-N 125.003 1.439 . . . . 0.0 109.364 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -132.36 130.57 40.89 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 125.061 1.476 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 119.06 8.52 Favored 'General case' 0 C--O 1.239 0.525 0 O-C-N 125.083 1.489 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.69 67.76 1.38 Allowed Glycine 0 C--N 1.347 1.164 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.623 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -152.1 138.23 18.28 Favored 'General case' 0 C--O 1.239 0.547 0 O-C-N 125.021 1.071 . . . . 0.0 109.206 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' CB ' HG22 ' A' ' 8' ' ' ILE . 15.1 tttp -68.89 126.1 28.71 Favored 'General case' 0 C--O 1.241 0.616 0 O-C-N 124.98 1.425 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 1.7 m -124.61 140.72 46.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 O-C-N 124.999 1.437 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.8 p -85.23 67.65 10.23 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.033 1.458 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.753 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 9.5 p90 -73.6 -163.96 0.19 Allowed 'General case' 0 C--O 1.24 0.604 0 O-C-N 125.043 1.464 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 66' ' ' ASN . 2.3 t -158.37 72.3 0.61 Allowed 'General case' 0 C--O 1.24 0.577 0 O-C-N 124.969 1.418 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.534 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -24.4 126.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 124.94 1.4 . . . . 0.0 109.224 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -141.16 -170.6 3.09 Favored 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.058 1.474 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.15 140.1 18.25 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.97 1.419 . . . . 0.0 109.377 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -121.65 40.4 2.11 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.321 -1.511 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 43.63 44.14 5.16 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.947 1.028 . . . . 0.0 109.231 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.28 61.88 0.02 OUTLIER 'General case' 0 C--O 1.24 0.563 0 O-C-N 125.045 1.466 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.18 155.32 31.88 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' O ' ' CD2' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.03 109.42 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.498 2.799 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 31' ' ' PHE . . . -102.6 176.03 5.3 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 125.044 1.465 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -150.7 103.69 3.12 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.973 1.421 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.21 168.84 54.23 Favored Glycine 0 C--N 1.345 1.06 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.753 ' O ' ' HA ' ' A' ' 53' ' ' PHE . 79.6 m-20 61.59 113.97 0.02 OUTLIER 'General case' 0 C--O 1.24 0.562 0 O-C-N 124.982 1.048 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.423 ' CG1' HD11 ' A' ' 21' ' ' ILE . 0.0 OUTLIER -125.86 7.38 4.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 O-C-N 124.997 1.436 . . . . 0.0 109.298 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.699 ' HB ' HE21 ' A' ' 38' ' ' GLN . 6.1 t -67.16 167.86 11.34 Favored 'General case' 0 C--O 1.24 0.57 0 O-C-N 124.945 1.403 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.65 159.61 15.74 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.943 1.402 . . . . 0.0 109.367 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.345 0.402 0 O-C-N 124.959 1.412 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.24 0.594 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.83 -45.62 3.45 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.45 160.83 26.66 Favored 'General case' 0 C--O 1.241 0.605 0 O-C-N 124.964 1.037 . . . . 0.0 109.367 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.514 ' HG3' ' CE1' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -127.13 151.06 49.15 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 124.969 1.418 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 p -92.19 154.99 18.31 Favored 'General case' 0 C--O 1.241 0.638 0 O-C-N 125.016 1.447 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.23 128.64 1.64 Allowed Glycine 0 C--N 1.345 1.03 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.507 HG22 ' CG ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -90.09 155.81 3.07 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 O-C-N 124.997 1.057 . . . . 0.0 109.305 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.45 HG11 HD12 ' A' ' 45' ' ' LEU . 14.9 p -107.39 151.91 9.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 O-C-N 124.985 1.428 . . . . 0.0 109.348 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -140.13 -14.11 1.03 Allowed 'General case' 0 C--O 1.24 0.594 0 O-C-N 125.077 1.486 . . . . 0.0 109.352 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.474 ' HB2' ' H ' ' A' ' 20' ' ' PHE . 2.1 m95 -98.54 -128.41 0.18 Allowed 'General case' 0 C--O 1.24 0.578 0 O-C-N 124.945 1.403 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.521 ' HA ' ' CA ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 75.98 116.35 0.06 Allowed 'General case' 0 C--O 1.24 0.588 0 O-C-N 124.867 1.354 . . . . 0.0 109.345 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.742 HD21 ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -138.25 137.09 37.16 Favored 'General case' 0 C--O 1.238 0.498 0 O-C-N 125.027 1.454 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.72 8.13 34.96 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 124.968 1.417 . . . . 0.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.491 ' CB ' ' OD1' ' A' ' 13' ' ' ASN . 5.4 t0 -86.23 -64.8 1.09 Allowed 'General case' 0 C--O 1.239 0.535 0 O-C-N 125.047 1.467 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.742 ' N ' HD21 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -79.32 -24.18 42.98 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 125.004 1.44 . . . . 0.0 109.187 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.634 ' H ' HD21 ' A' ' 13' ' ' ASN . . . 90.84 69.74 1.2 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -175.06 163.98 3.28 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 125.013 1.067 . . . . 0.0 109.303 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.521 ' CA ' ' HA ' ' A' ' 12' ' ' PHE . . . -154.72 170.69 33.06 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' H ' ' HB2' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -150.29 128.39 11.93 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.901 1.0 . . . . 0.0 109.288 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.55 ' CG1' HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -90.59 167.24 1.69 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.503 0 O-C-N 125.028 1.455 . . . . 0.0 109.23 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.51 ' N ' ' CG2' ' A' ' 21' ' ' ILE . 0.9 OUTLIER -136.23 96.52 12.56 Favored Pre-proline 0 C--O 1.24 0.559 0 O-C-N 125.005 1.441 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 53' ' ' PHE . 18.6 Cg_endo -74.9 123.97 8.33 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.542 2.828 . . . . 0.0 111.07 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -67.91 0.24 Allowed 'General case' 0 C--O 1.24 0.566 0 O-C-N 124.931 1.394 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -60.15 -32.85 71.42 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.901 1.375 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.84 73.06 1.6 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 109.251 -1.539 . . . . 0.0 109.251 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.21 -31.98 0.25 Allowed 'General case' 0 C--O 1.239 0.531 0 O-C-N 125.092 1.113 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -169.51 0.01 OUTLIER 'General case' 0 C--O 1.238 0.497 0 O-C-N 125.019 1.45 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.99 141.81 40.44 Favored 'General case' 0 C--O 1.241 0.651 0 O-C-N 125.069 1.481 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -116.71 147.42 20.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 O-C-N 125.04 1.462 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CZ ' ' CA ' ' A' ' 63' ' ' ALA . 5.7 p90 -74.08 144.91 44.8 Favored 'General case' 0 C--O 1.239 0.519 0 O-C-N 124.912 1.382 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -154.8 169.89 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.556 0 O-C-N 124.951 1.407 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.572 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -136.63 155.32 50.07 Favored 'General case' 0 C--O 1.241 0.61 0 O-C-N 125.055 1.472 . . . . 0.0 109.271 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 37' ' ' ILE . 54.4 p90 -48.96 -18.25 0.27 Allowed 'General case' 0 C--O 1.24 0.583 0 O-C-N 125.119 1.512 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 33' ' ' HIS . 46.9 t -88.63 41.83 1.04 Allowed 'General case' 0 C--O 1.24 0.556 0 O-C-N 125.029 1.456 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.657 ' O ' ' O ' ' A' ' 67' ' ' VAL . . . -140.82 -29.78 0.66 Allowed 'General case' 0 C--O 1.24 0.555 0 O-C-N 125.047 1.467 . . . . 0.0 109.248 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -65.43 15.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.239 0.549 0 O-C-N 124.977 1.423 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.636 ' H ' ' C ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -46.85 100.98 0.02 OUTLIER 'General case' 0 C--O 1.24 0.553 0 O-C-N 124.978 1.424 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.542 ' CG ' ' H ' ' A' ' 40' ' ' ASP . 5.1 t-20 -123.91 -168.59 1.81 Allowed 'General case' 0 C--O 1.24 0.598 0 O-C-N 124.943 1.402 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.542 ' H ' ' CG ' ' A' ' 39' ' ' ASN . 0.5 OUTLIER -43.83 -42.24 5.53 Favored 'General case' 0 C--O 1.241 0.624 0 O-C-N 124.91 1.381 . . . . 0.0 109.299 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -167.01 -35.23 0.02 OUTLIER Glycine 0 C--N 1.345 1.055 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -46.36 120.84 3.04 Favored 'General case' 0 C--O 1.24 0.588 0 O-C-N 125.0 1.059 . . . . 0.0 109.356 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.48 141.43 46.24 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.954 1.409 . . . . 0.0 109.311 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.403 ' CA ' HG21 ' A' ' 37' ' ' ILE . 0.7 OUTLIER 80.57 133.64 0.06 Allowed 'General case' 0 C--O 1.24 0.595 0 O-C-N 125.019 1.449 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.622 ' N ' HD22 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -64.62 165.44 10.19 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 124.884 1.365 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' GLU . 1.5 t0 -114.38 24.1 12.21 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 124.987 1.429 . . . . 0.0 109.213 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 14.0 pt-20 34.95 49.16 0.38 Allowed 'General case' 0 C--O 1.239 0.544 0 O-C-N 124.946 1.404 . . . . 0.0 109.388 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 146.68 83.95 0.05 OUTLIER Glycine 0 C--N 1.346 1.113 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' HG3' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -174.39 142.36 0.77 Allowed 'General case' 0 C--O 1.239 0.551 0 O-C-N 124.968 1.04 . . . . 0.0 109.332 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' CG ' HG22 ' A' ' 8' ' ' ILE . 1.3 ttpp -78.76 132.77 37.05 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 124.995 1.434 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.6 ' CG1' ' HA ' ' A' ' 69' ' ' SER . 1.6 m -150.26 162.21 3.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 O-C-N 125.003 1.439 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.47 162.82 25.21 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 125.004 1.44 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 23' ' ' PRO . 0.8 OUTLIER -159.31 145.49 16.42 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 125.008 1.443 . . . . 0.0 109.281 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' ILE . 1.4 p -137.48 49.76 1.98 Allowed 'General case' 0 C--O 1.24 0.562 0 O-C-N 125.066 1.479 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 53' ' ' PHE . 0.4 OUTLIER -30.63 137.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.241 0.631 0 O-C-N 125.072 1.483 . . . . 0.0 109.3 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -112.36 153.37 27.37 Favored 'General case' 0 C--O 1.239 0.549 0 O-C-N 124.883 1.364 . . . . 0.0 109.226 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.5 p -93.22 134.58 35.27 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 124.975 1.422 . . . . 0.0 109.173 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.737 ' O ' ' CB ' ' A' ' 59' ' ' ALA . . . -177.23 66.17 0.09 OUTLIER Glycine 0 C--N 1.346 1.098 0 N-CA-C 109.287 -1.525 . . . . 0.0 109.287 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.737 ' CB ' ' O ' ' A' ' 58' ' ' GLY . . . 114.97 -165.87 0.0 OUTLIER 'General case' 0 C--O 1.239 0.527 0 O-C-N 125.016 1.068 . . . . 0.0 109.236 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -93.6 36.75 1.07 Allowed 'General case' 0 C--O 1.241 0.611 0 O-C-N 124.949 1.405 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -152.36 109.59 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.484 ' O ' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.06 109.61 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.464 2.776 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.584 ' CA ' ' CZ ' ' A' ' 31' ' ' PHE . . . -91.04 144.86 25.21 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.04 1.462 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.12 119.11 14.78 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 125.039 1.462 . . . . 0.0 109.365 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -116.88 130.98 9.22 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 55.41 100.82 0.01 OUTLIER 'General case' 0 C--O 1.239 0.525 0 O-C-N 124.988 1.052 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.657 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -133.93 99.1 2.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 O-C-N 125.045 1.466 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.36 119.41 37.9 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 125.071 1.482 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.6 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 21.0 p -55.67 134.91 51.53 Favored 'General case' 0 C--O 1.24 0.565 0 O-C-N 125.033 1.458 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.502 ' H ' HG12 ' A' ' 51' ' ' VAL . 95.8 mt . . . . . 0 C--N 1.344 0.346 0 O-C-N 125.009 1.443 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 stop_ save_