data_1nei_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 1nei _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.05 93.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 59.3 p -137.07 163.25 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.14 142.46 42.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 m -118.33 109.22 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.497 ' CG1' HD13 ' A' ' 42' ' ' LEU . 51.3 t -103.22 119.14 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.373 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 36.9 m -111.88 123.19 49.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.487 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 3.5 t -118.5 124.16 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.9 m -131.76 143.9 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.587 ' OD1' ' CE1' ' B' ' 206' ' ' TYR . 1.2 m-20 -99.07 121.51 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -81.63 -15.85 53.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.36 -35.88 24.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -110.48 -9.84 14.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 64.22 23.17 67.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 t -90.67 121.93 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.725 . . . . 0.0 109.233 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.79 146.36 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.949 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -152.67 124.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -120.69 140.82 51.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.54 129.09 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -90.86 114.33 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.4 t -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.6 pt-20 -88.58 95.8 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.2 p -133.33 118.44 14.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.757 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -27.63 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -52.21 -20.27 2.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 25' ' ' THR . 29.0 mt -64.63 -40.24 95.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.96 -26.34 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 85.7 t -60.38 133.88 91.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -74.96 -43.85 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -57.89 -36.95 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 28' ' ' THR . 24.5 t -81.19 -45.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -61.82 -44.37 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.485 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -59.96 -49.26 78.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.95 -34.67 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.62 -52.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 16.5 mm -60.3 -43.61 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.9 -40.62 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.2 t70 -58.4 -44.4 88.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.497 HD13 ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -64.31 -51.42 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' CG2' HD12 ' B' ' 229' ' ' LEU . 1.5 t -60.19 -47.12 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.74 -36.67 67.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . 0.449 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.72 107.9 18.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.05 166.52 27.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.587 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -136.94 145.26 44.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 3.2 m -116.25 107.99 15.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.486 ' CG1' HD12 ' B' ' 242' ' ' LEU . 48.0 t -109.87 115.94 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 2.1 m -104.99 150.27 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.64 114.6 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.496 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 3.1 m -125.05 132.06 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.4 OUTLIER -96.75 99.3 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . 0.405 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -60.4 -12.64 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.01 -35.49 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -110.54 -2.62 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.53 13.35 37.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 79.0 t -89.28 144.99 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 109.23 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.496 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.0 t -127.27 154.73 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' B' ' 218' ' ' SER . 45.5 t -155.24 124.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.84 143.97 43.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -140.75 127.58 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -101.54 113.42 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -138.11 149.17 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.23 95.09 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.484 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 19.8 p -133.58 108.58 12.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.352 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.02 -29.66 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.481 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.11 -36.39 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.437 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 15.6 mt -51.23 -32.35 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.78 -25.99 32.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 95.3 t -63.97 134.64 96.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.479 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.6 Cg_endo -74.88 -43.53 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.69 -35.42 74.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.459 ' CG2' HG11 ' B' ' 231' ' ' VAL . 60.6 t -81.84 -45.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.375 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.512 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -58.06 -47.88 81.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -68.18 -35.18 77.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.43 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 1.5 t -68.61 -39.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.404 ' HB ' ' CB ' ' A' ' 35' ' ' ALA . 9.4 mm -75.24 -44.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -68.51 -40.97 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.2 t70 -60.09 -45.68 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.486 HD12 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -61.06 -49.14 78.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.6 t -64.65 -45.19 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.45 -36.5 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.444 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' B' ' 214' ' ' SER . 2.4 mmtt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.1 93.29 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 65.8 p -135.71 163.4 30.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.617 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 4.5 m-85 -136.73 140.68 42.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.21 109.88 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.491 ' CG1' HD11 ' A' ' 42' ' ' LEU . 64.4 t -102.21 129.41 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 13.4 m -124.43 124.16 41.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.05 125.35 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.438 HG22 ' CA ' ' A' ' 18' ' ' SER . 52.2 m -131.09 142.3 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.2 m-20 -101.25 100.39 10.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.453 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -61.62 -13.27 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.0 OUTLIER -81.71 -35.0 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -110.79 -1.67 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.32 14.68 34.85 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 18' ' ' SER . 56.2 t -90.02 139.46 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.438 ' CA ' HG22 ' A' ' 11' ' ' THR . 39.6 t -119.27 157.44 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -155.03 124.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.66 138.63 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.48 128.05 20.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -89.86 112.73 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -136.83 120.13 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -88.47 96.49 10.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.213 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 22.2 p -132.41 114.27 14.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -87.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -28.44 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.488 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.41 -33.1 28.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 6' ' ' TYR . 19.0 mt -54.26 -36.48 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -81.74 -23.54 36.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 97.4 t -65.97 135.25 95.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.459 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.557 1.819 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.2 -38.69 77.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.67 -45.54 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -61.47 -48.28 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.493 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -58.38 -49.37 77.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 9.0 mm-40 -63.29 -34.51 77.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -69.02 -48.98 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 10.7 mm -64.12 -47.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -65.88 -44.54 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.9 t70 -57.03 -44.45 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -64.22 -53.79 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.43 -48.45 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.48 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . 0.417 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.15 108.12 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.453 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 34.7 p -147.9 163.05 37.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.617 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.3 m-85 -137.02 146.54 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.9 m -122.86 108.34 12.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' B' ' 242' ' ' LEU . 37.6 t -103.16 111.88 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -97.42 144.21 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . 0.482 ' HB ' ' CD2' ' B' ' 242' ' ' LEU . 2.3 t -139.64 114.08 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 211' ' ' THR . . . . . . . . . . . . . 51.0 m -128.14 136.58 51.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.9 m-20 -97.02 118.1 32.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 -10.86 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.437 ' OG ' ' ND2' ' B' ' 215' ' ' ASN . 0.9 OUTLIER -79.58 -38.12 34.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.962 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . 0.437 ' ND2' ' OG ' ' B' ' 214' ' ' SER . 0.8 OUTLIER -112.45 -10.33 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.93 15.38 76.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 51.8 t -82.43 125.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 218' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.4 146.32 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 73.1 t -153.26 130.79 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.98 145.79 47.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.375 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -141.28 128.48 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -101.28 115.13 29.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 223' ' ' THR . . . . . 0.405 ' O ' ' N ' ' B' ' 206' ' ' TYR . 6.1 t -137.1 150.32 47.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.16 94.69 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 23.9 p -133.94 108.89 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -84.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.537 1.809 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -75.54 -28.86 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.502 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.57 -35.77 54.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.581 HD11 ' CE2' ' B' ' 206' ' ' TYR . 15.2 mt -52.0 -34.76 44.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 30.7 mt -79.67 -26.7 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.0 t -64.48 134.57 96.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.491 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -74.99 -42.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.16 -35.47 75.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' B' ' 228' ' ' THR . 96.9 t -81.88 -46.7 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.493 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -63.76 -44.06 94.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.512 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.64 -48.0 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.5 OUTLIER -65.74 -34.39 78.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.3 t -67.69 -48.71 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 29.7 mm -65.36 -46.09 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -66.88 -41.03 87.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.6 t70 -59.99 -45.06 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.482 ' CD2' ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -63.13 -48.53 78.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . 0.4 ' CG2' ' HB3' ' A' ' 29' ' ' LEU . 2.1 t -64.32 -43.49 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.426 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.33 -37.25 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 32.4 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 3.7 mptt . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.22 93.81 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 69.9 p -142.77 155.61 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.619 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 3.9 m-85 -130.06 139.57 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.1 m -112.48 113.15 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 110.427 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 42' ' ' LEU . 51.4 t -106.23 120.62 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 25.9 m -113.07 124.57 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.484 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 2.7 t -121.4 120.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.6 m -129.19 145.33 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.602 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 1.5 m-20 -99.91 122.36 42.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.474 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -82.66 -14.99 53.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.28 -35.94 24.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -111.28 -10.43 14.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.31 23.14 69.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -89.97 120.12 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.83 143.27 33.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 t -153.94 124.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -139.96 128.47 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -92.94 113.92 26.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -136.19 126.59 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.45 96.44 10.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.545 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.6 p -132.9 116.13 14.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -27.42 61.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.057 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.49 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -50.75 -25.47 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.59 HD13 ' CE2' ' A' ' 6' ' ' TYR . 13.2 mt -58.99 -41.27 87.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -78.65 -25.35 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 87.1 t -61.74 134.5 93.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.498 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.05 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.85 -36.18 76.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG1' ' HB ' ' A' ' 28' ' ' THR . 92.6 t -79.96 -44.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -64.94 -45.3 86.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -59.9 -48.9 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 12.5 tt0 -61.22 -34.5 75.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -51.61 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 25.4 mm -61.28 -42.5 93.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -71.68 -40.84 69.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.8 t70 -59.34 -44.92 92.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -63.6 -51.18 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.61 -47.37 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.78 -36.6 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.416 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.01 108.05 19.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 15.9 p -147.38 166.29 27.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.602 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -137.22 143.65 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 7.9 m -112.74 108.25 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' B' ' 242' ' ' LEU . 34.1 t -108.73 113.9 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.471 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -104.42 147.2 27.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.1 t -140.36 114.34 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.44 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 54.8 m -127.44 135.53 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.619 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.6 m-20 -96.54 118.44 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . 0.413 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -76.89 -14.25 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -82.6 -35.25 27.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -109.91 -5.98 15.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 60.72 18.14 51.71 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.01 127.26 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.235 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.44 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -112.38 146.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 61.8 t -153.16 132.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.471 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -120.72 144.94 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -140.36 128.33 22.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -99.68 115.11 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -137.34 151.4 48.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -109.04 94.85 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.272 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 23.9 p -133.97 108.59 11.68 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -83.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.8 mtm -75.69 -29.48 59.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.51 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.28 -35.63 50.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.445 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 16.9 mt -51.79 -32.9 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.1 mt -82.25 -24.77 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 96.3 t -66.36 134.37 94.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.489 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.97 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.37 -35.6 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' B' ' 228' ' ' THR . 54.3 t -82.05 -46.13 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.91 -43.63 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.503 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -57.02 -47.75 80.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.2 OUTLIER -66.87 -34.91 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.419 HG13 ' CD1' ' B' ' 242' ' ' LEU . 1.8 t -66.1 -49.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.485 HD12 ' CD1' ' A' ' 39' ' ' ILE . 23.4 mm -63.53 -50.82 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.25 -43.86 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.23 -45.04 88.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.468 HD12 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -63.3 -50.36 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.27 -45.79 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.58 -36.23 66.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 22.3 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' B' ' 214' ' ' SER . 16.4 mmtt . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.36 93.85 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p -137.29 164.8 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 29' ' ' LEU . 2.0 m-85 -137.96 142.35 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -114.71 109.5 18.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 42' ' ' LEU . 29.2 t -105.29 119.62 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 60.7 m -116.61 124.02 48.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.182 . . . . 0.0 110.383 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.43 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 81.1 m -131.81 139.67 48.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.7 p30 -100.6 99.56 10.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -58.12 -15.49 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -34.61 58.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.74 -4.69 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.09 11.04 36.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 11' ' ' THR . 78.4 t -88.87 144.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.46 ' CA ' HG22 ' A' ' 11' ' ' THR . 41.1 t -120.16 159.76 24.23 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.2 t -153.69 124.35 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.09 139.57 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.409 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 5.3 m-85 -139.97 126.74 20.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -92.78 113.32 25.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.607 1.192 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.6 t -137.97 119.56 15.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.84 95.62 10.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 5.7 p -133.6 115.28 13.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.08 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -90.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -28.42 60.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.492 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -53.01 -30.71 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 6' ' ' TYR . 13.2 mt -52.47 -29.43 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.221 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -82.37 -30.15 30.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 99.2 t -56.26 134.67 75.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.472 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.98 -42.27 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.65 -36.77 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 28' ' ' THR . 37.2 t -81.47 -45.82 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.18 -48.27 79.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' B' ' 232' ' ' PRO . . . -56.5 -48.81 76.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 13.7 tt0 -62.88 -35.2 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.63 -45.9 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 43.4 mm -67.93 -45.08 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.77 -45.04 76.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.6 t70 -59.37 -44.21 92.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -66.26 -51.39 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' B' ' 229' ' ' LEU . 1.3 t -58.8 -44.39 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -36.71 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.431 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.39 107.89 19.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.5 p -148.01 160.7 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.558 ' CE2' HD13 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -135.73 146.8 48.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 96.7 m -125.56 108.3 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . . . . . . . . . 25.0 t -103.77 114.76 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -97.3 148.28 23.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . 0.439 ' HB ' ' CD2' ' B' ' 242' ' ' LEU . 2.7 t -139.79 114.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 53.1 m -129.66 125.8 36.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 30.8 p30 -96.44 98.31 10.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.01 -16.78 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.3 p -72.6 -36.26 68.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . 0.417 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.9 t30 -111.46 -3.74 15.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.09 14.62 47.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . 0.49 ' N ' ' OD1' ' B' ' 212' ' ' ASN . 67.9 t -90.13 132.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.459 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -116.23 148.21 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 18.9 t -152.73 125.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.51 145.57 40.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . 0.408 ' OH ' ' OG1' ' B' ' 245' ' ' THR . 4.6 m-85 -139.94 127.57 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -102.81 114.64 29.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.7 t -137.61 149.23 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.09 94.38 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 23.9 p -133.39 110.9 12.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.5 mtm -74.72 -29.47 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.481 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.51 -35.65 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' B' ' 206' ' ' TYR . 15.8 mt -51.87 -32.98 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 18.6 mt -82.31 -23.24 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 94.5 t -67.16 134.85 93.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.487 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.94 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.72 -34.83 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . . . . . . . . . 95.8 t -82.62 -46.06 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.1 -46.96 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.521 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -53.88 -46.6 71.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -68.47 -35.06 77.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.16 -39.64 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.442 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 41.9 mm -74.92 -45.01 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -68.2 -40.34 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t70 -60.83 -45.27 95.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.439 ' CD2' ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -64.62 -48.56 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.7 t -62.61 -44.84 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.07 -36.52 68.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 245' ' ' THR . . . . . 0.408 ' OG1' ' OH ' ' B' ' 221' ' ' TYR . 22.5 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.468 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.58 93.68 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.7 p -140.47 157.79 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.346 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CE2' HD13 ' A' ' 29' ' ' LEU . 3.2 m-85 -131.33 139.66 49.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.56 108.32 17.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG1' HD12 ' A' ' 42' ' ' LEU . 71.4 t -103.39 125.37 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.45 ' CG2' ' OD2' ' A' ' 20' ' ' ASP . 85.9 m -120.04 123.68 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 7.0 t -121.35 119.1 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.466 HG23 ' CA ' ' A' ' 18' ' ' SER . 41.4 m -124.77 144.62 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.589 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 0.3 OUTLIER -100.55 112.3 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.476 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.74 -14.01 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.78 -36.37 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -111.31 -1.32 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 57.46 19.08 32.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 20.5 t -90.38 130.59 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.466 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -112.04 146.14 38.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -153.36 124.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -122.68 146.52 47.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.51 128.73 23.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.33 113.68 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 t -136.52 119.76 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.03 96.48 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' A' ' 28' ' ' THR . 7.1 p -133.19 115.0 13.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 -91.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -27.59 59.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.494 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -53.13 -31.22 41.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.375 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.542 HD13 ' CE2' ' A' ' 6' ' ' TYR . 14.1 mt -51.24 -30.86 18.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.077 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.87 -28.73 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 84.9 t -58.94 134.21 87.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.04 -34.87 70.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' CG2' HG23 ' A' ' 28' ' ' THR . 24.2 t -81.95 -45.45 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.39 -48.12 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' B' ' 232' ' ' PRO . . . -56.6 -48.57 77.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 18.8 mt-10 -62.27 -34.7 77.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.91 -46.27 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 25.8 mm -67.55 -42.69 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.87 -40.97 71.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.5 t0 -57.92 -45.27 86.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.497 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -60.54 -51.89 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.7 t -62.2 -46.87 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -55.8 -36.54 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.73 108.08 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.476 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.0 p -148.52 161.87 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.589 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 5.4 m-85 -137.46 141.29 41.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.5 m -114.38 108.73 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.43 112.53 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' B' ' 220' ' ' ASP . 1.3 m -99.38 148.79 23.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.473 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . 0.472 ' HB ' ' CD2' ' B' ' 242' ' ' LEU . 3.1 t -140.79 115.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 211' ' ' THR . . . . . . . . . . . . . 57.2 m -129.12 130.52 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.447 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 25.5 p30 -96.73 100.64 12.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.595 1.185 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.46 -14.77 13.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -75.35 -35.98 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . 0.431 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.5 t30 -111.49 -3.33 15.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.71 14.31 43.12 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . 0.489 ' N ' ' OD1' ' B' ' 212' ' ' ASN . 55.4 t -89.9 129.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 218' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.45 149.93 31.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.048 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . 0.405 ' CG1' HG22 ' B' ' 245' ' ' THR . 53.9 t -151.8 128.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 209' ' ' THR . 0.0 OUTLIER -116.38 145.1 43.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -140.55 127.73 20.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -101.19 113.86 27.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.5 t -138.49 146.27 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.77 94.43 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 18.1 p -133.58 108.71 12.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.2 mmt -74.8 -28.88 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.483 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.81 -34.82 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' B' ' 225' ' ' THR . 15.2 mt -51.64 -32.94 31.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 23.5 mt -81.62 -26.12 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 94.7 t -64.14 133.95 95.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.02 -42.73 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.29 -34.92 74.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.19 -45.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.516 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -54.86 -48.79 72.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.1 tt0 -67.18 -35.11 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.7 t -67.46 -42.37 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.414 HD11 ' CD1' ' A' ' 39' ' ' ILE . 4.6 mm -72.32 -47.84 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.31 -42.48 96.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t0 -60.43 -44.68 95.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -63.17 -46.92 84.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.9 t -66.09 -45.7 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.03 -36.37 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 245' ' ' THR . . . . . 0.405 HG22 ' CG1' ' B' ' 219' ' ' VAL . 2.3 m . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.516 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 24' ' ' GLU . . . -106.87 93.93 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.8 p -140.22 158.27 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 5.6 m-85 -137.8 140.06 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 m -119.24 114.45 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 42' ' ' LEU . 37.1 t -99.22 121.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -107.48 126.39 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' B' ' 208' ' ' VAL . 4.1 t -125.64 120.12 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 83.8 m -126.62 140.25 52.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' GLY . 18.7 p30 -100.39 99.2 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.644 1.215 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.65 -16.03 9.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -34.84 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.31 -5.12 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.238 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.32 12.87 47.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 11' ' ' THR . 71.5 t -90.63 144.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.458 ' CA ' HG22 ' A' ' 11' ' ' THR . 46.7 t -119.55 157.75 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -154.85 124.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 1.8 t0 -115.79 145.19 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -139.84 127.31 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.24 111.87 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 t -137.33 131.48 32.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 4' ' ' ALA . 28.1 tt0 -89.29 94.95 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.5 p -134.57 113.23 11.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.45 1.763 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.74 -27.6 61.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 ' CG2' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.94 -24.96 7.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 25' ' ' THR . 17.5 mt -60.16 -38.72 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -79.84 -23.77 41.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 78.3 t -63.52 136.63 96.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.07 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.91 -35.88 73.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.459 HG23 ' CG2' ' A' ' 28' ' ' THR . 23.4 t -82.06 -44.59 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -59.59 -49.68 76.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 10.3 mm-40 -62.03 -34.54 76.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 HG11 ' CD1' ' A' ' 42' ' ' LEU . 1.2 t -69.21 -48.02 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 15.3 mm -65.99 -45.27 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.52 -44.42 78.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t70 -58.53 -44.34 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 HD11 ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -66.3 -50.95 61.91 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.494 HG22 ' CD1' ' B' ' 229' ' ' LEU . 1.4 t -59.24 -45.66 92.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -37.31 67.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 65.7 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . 0.423 ' C ' HG21 ' B' ' 205' ' ' THR . . . -101.92 107.59 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.454 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.4 p -147.4 160.37 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.569 ' CD2' HD13 ' B' ' 229' ' ' LEU . 6.2 m-85 -137.73 141.89 41.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 98.8 m -118.32 109.15 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' B' ' 242' ' ' LEU . 50.7 t -100.46 122.26 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 1.9 m -109.54 148.3 31.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.3 t -139.65 114.81 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 51.9 m -125.54 132.04 52.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -97.59 104.41 16.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . 0.42 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -63.09 -12.53 27.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -80.97 -35.18 32.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.078 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -110.96 -0.72 16.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 58.2 15.08 21.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . 0.422 HG13 ' N ' ' B' ' 218' ' ' SER . 79.1 t -90.25 145.33 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.422 ' N ' HG13 ' B' ' 217' ' ' VAL . 44.0 t -126.39 155.54 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 38.9 t -154.17 124.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.53 143.39 44.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . 0.404 ' OH ' ' OG1' ' B' ' 245' ' ' THR . 2.3 m-85 -140.07 127.78 21.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.593 1.183 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.18 113.65 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.8 t -138.32 145.84 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.95 93.95 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.425 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 2.2 p -135.03 110.29 10.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -83.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -29.59 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.49 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.66 -36.15 45.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' B' ' 206' ' ' TYR . 17.5 mt -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.63 -24.83 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 71.8 t -66.82 134.0 94.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.489 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.0 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.519 1.8 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.68 -34.29 72.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . . . . . . . . . 68.1 t -82.81 -46.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.43 -42.91 91.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.518 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.53 -47.73 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 40.8 mt-10 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.8 t -66.31 -51.96 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 39' ' ' ILE . 20.4 mm -60.4 -51.23 75.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -62.61 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.4 t0 -57.26 -45.38 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.487 HD11 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -62.18 -50.61 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.43 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.405 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.31 -36.72 69.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 245' ' ' THR . . . . . 0.404 ' OG1' ' OH ' ' B' ' 221' ' ' TYR . 31.6 m . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.54 4.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.1 p -143.65 161.08 39.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.468 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.599 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 7.0 m-85 -135.93 138.82 42.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.9 m -111.88 109.69 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.477 ' CG1' HD13 ' A' ' 42' ' ' LEU . 73.4 t -102.23 128.13 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 16.8 m -120.45 123.49 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.498 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 3.4 t -120.89 120.21 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.48 HG21 ' CA ' ' A' ' 18' ' ' SER . 54.5 m -128.1 144.11 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.693 ' ND2' ' HH ' ' B' ' 206' ' ' TYR . 0.9 OUTLIER -99.24 122.06 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.4 m-80 -82.16 -15.93 51.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -82.79 -35.57 26.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -110.78 -10.98 14.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.44 22.55 69.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 t -90.44 122.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.48 ' CA ' HG21 ' A' ' 11' ' ' THR . 0.1 OUTLIER -108.8 141.41 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -152.54 124.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.92 145.77 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -140.1 128.15 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -89.2 113.19 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -137.56 122.88 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.39 96.8 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.508 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 29.9 p -132.97 111.83 13.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -85.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mtm -73.19 -29.41 62.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.85 -35.44 44.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 6' ' ' TYR . 15.4 mt -51.85 -32.88 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.183 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.406 HD22 ' CG1' ' B' ' 243' ' ' VAL . 18.3 mt -84.26 -24.01 30.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 88.3 t -66.36 135.86 94.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.98 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.31 -35.17 73.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 28' ' ' THR . 78.3 t -82.56 -45.07 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -62.92 -47.64 82.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' CB ' ' HA ' ' B' ' 232' ' ' PRO . . . -58.22 -48.22 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.608 1.192 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -61.52 -34.87 76.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -49.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 22.9 mm -63.44 -45.06 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -69.07 -40.5 78.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.6 t70 -57.87 -45.18 86.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.498 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.4 -53.77 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 t -58.78 -47.53 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.58 -36.25 66.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . 0.407 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -101.85 107.58 18.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.4 p -147.75 162.23 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.693 ' HH ' ' ND2' ' A' ' 12' ' ' ASN . 3.9 m-85 -136.64 141.81 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.4 m -112.86 108.37 17.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.351 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' B' ' 242' ' ' LEU . 46.8 t -105.95 115.86 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.474 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.4 m -104.62 146.46 28.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . 0.461 ' HB ' ' CD2' ' B' ' 242' ' ' LEU . 2.1 t -139.86 114.1 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 211' ' ' THR . . . . . . . . . . . . . 7.9 m -123.5 135.08 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.2 m-20 -96.15 117.83 31.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . 0.494 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -77.53 -14.64 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 1.5 t -82.15 -35.83 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -110.34 -5.29 15.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.39 1.056 . . . . 0.0 109.24 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.66 20.06 50.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 53.0 t -90.76 130.16 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 218' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.73 147.18 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 38.5 t -153.16 128.83 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.474 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -119.38 145.33 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.22 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -140.96 127.51 20.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -101.68 114.51 28.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.6 t -138.21 151.11 47.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.466 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' B' ' 224' ' ' GLU . 0.0 OUTLIER -106.6 94.34 5.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 24.9 p -133.77 108.43 11.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.45 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -83.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -74.78 -28.66 60.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.478 HG22 ' CG2' ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.14 -37.68 55.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.472 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' B' ' 225' ' ' THR . 18.9 mt -52.53 -36.66 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 26.0 mt -78.83 -23.99 44.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.2 t -69.1 135.75 89.36 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -75.0 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.99 -34.67 73.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.478 ' CG2' HG22 ' B' ' 228' ' ' THR . 48.5 t -82.4 -46.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.56 -45.34 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.518 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -54.56 -47.74 72.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 47.0 mt-10 -66.95 -35.19 79.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.04 -50.11 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 20.9 mm -63.47 -51.24 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 1.8 tmtt? -61.57 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.0 t70 -58.82 -45.3 90.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.472 HD13 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -62.31 -51.84 66.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 29' ' ' LEU . 1.6 t -61.49 -44.68 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.68 -36.57 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.85 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.463 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 73.1 p -142.04 157.84 44.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.614 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 6.3 m-85 -132.22 138.25 47.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -111.74 115.98 29.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 42' ' ' LEU . 75.7 t -108.81 133.01 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 95.8 m -127.22 132.78 50.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.423 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 2.5 t -125.82 123.77 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 73.0 m -126.23 140.3 52.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.601 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.88 99.51 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -58.67 -15.53 12.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -71.38 -35.96 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 3.3 t30 -112.3 -10.57 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 72.0 11.19 74.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 11' ' ' THR . 73.6 t -88.28 145.3 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.449 ' CA ' HG21 ' A' ' 11' ' ' THR . 42.0 t -120.79 160.04 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 t -153.96 124.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.33 140.28 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -141.03 128.45 21.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -87.13 112.96 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -137.64 117.33 13.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.7 pt-20 -89.39 96.58 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.1 p -131.73 116.3 15.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 0.0 110.39 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -88.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mmm -74.08 -28.98 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.1 -28.61 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.328 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 6' ' ' TYR . 20.5 mt -57.86 -35.55 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.9 -23.41 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 69.5 t -64.37 134.81 96.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.87 -43.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.75 -37.15 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.626 1.203 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.451 ' CG2' HG21 ' A' ' 28' ' ' THR . 84.4 t -81.19 -44.92 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -62.35 -46.52 88.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' CB ' ' HB3' ' B' ' 232' ' ' PRO . . . -59.61 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 5.4 mt-10 -62.41 -34.27 76.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 39' ' ' ILE . 0.9 OUTLIER -70.1 -52.18 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 33.5 mm -59.93 -43.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.82 -43.02 69.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.7 t70 -57.7 -44.66 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD11 ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -62.79 -51.0 68.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.3 t -62.01 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.18 -35.62 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.78 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -147.59 160.58 42.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.066 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.522 ' CD2' HD12 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -137.34 146.49 44.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.8 m -123.24 107.8 12.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' B' ' 242' ' ' LEU . 31.5 t -101.56 117.44 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -102.75 144.55 30.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.5 t -140.68 114.73 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.429 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 52.7 m -128.32 138.13 52.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.614 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.5 m-20 -96.94 121.92 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -79.42 -15.9 57.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -83.02 -34.99 26.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -109.16 -8.45 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.23 16.2 53.1 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 53.1 t -86.95 125.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.429 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.25 145.43 38.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 4.6 t -152.88 126.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.48 146.24 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . 0.412 ' CE2' HG22 ' B' ' 245' ' ' THR . 1.6 m-85 -140.98 128.28 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -100.14 115.61 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.4 t -137.71 148.71 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.34 94.84 5.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.503 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 30.2 p -134.5 111.71 11.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -87.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.5 mmt -74.13 -28.5 61.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.496 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.18 -32.59 36.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.402 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.522 HD12 ' CD2' ' B' ' 206' ' ' TYR . 18.7 mt -55.65 -35.92 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.6 -25.1 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 89.0 t -65.07 134.33 95.97 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.06 -40.55 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.96 -36.07 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.482 HG21 ' CG2' ' B' ' 228' ' ' THR . 39.2 t -82.22 -45.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.87 -45.75 84.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' B' ' 232' ' ' PRO . . . -55.23 -48.16 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.4 OUTLIER -66.71 -35.16 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.419 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 1.0 OUTLIER -66.54 -50.99 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 37.7 mm -61.79 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.38 -43.75 98.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.4 t70 -57.7 -45.23 85.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.462 HD13 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -61.96 -52.34 64.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . 0.404 ' CG2' HD12 ' A' ' 29' ' ' LEU . 1.4 t -61.21 -44.4 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -38.74 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 245' ' ' THR . . . . . 0.412 HG22 ' CE2' ' B' ' 221' ' ' TYR . 53.9 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 4.4 mptt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.86 93.71 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 53.2 p -137.63 155.99 48.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' B' ' 212' ' ' ASN . 13.8 m-85 -135.15 139.16 44.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.395 1.059 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.483 ' CG2' ' OD1' ' A' ' 20' ' ' ASP . 54.3 m -115.96 117.02 28.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 42' ' ' LEU . 58.7 t -101.5 128.64 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 2.0 m -119.57 123.76 44.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 t -121.69 118.64 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 80.1 m -122.17 140.88 52.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 15.1 p30 -100.58 99.16 9.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.56 -15.33 6.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -76.4 -35.03 58.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.19 -3.93 15.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.9 12.09 34.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.507 ' O ' ' CG2' ' A' ' 11' ' ' THR . 75.7 t -89.57 143.99 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.461 ' CA ' HG22 ' A' ' 11' ' ' THR . 48.0 t -120.05 157.91 27.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG1' HG22 ' A' ' 45' ' ' THR . 37.1 t -154.38 128.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.483 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 1.2 t0 -120.11 145.41 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -140.23 126.97 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -90.02 112.24 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -138.36 121.86 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.83 95.38 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.418 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 4.2 p -133.65 115.44 13.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.45 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -88.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -29.1 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.5 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -50.84 -22.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.416 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.51 HD12 ' CD2' ' A' ' 6' ' ' TYR . 19.6 mt -61.49 -33.66 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -82.68 -25.73 32.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.5 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 73.5 t -59.6 133.34 88.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.0 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.94 -38.0 78.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.497 ' CG2' HG12 ' A' ' 31' ' ' VAL . 84.3 t -79.84 -43.59 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.6 -44.9 92.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.492 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -59.99 -49.41 77.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -63.24 -34.82 78.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.498 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 1.3 t -68.8 -46.75 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 29.2 mm -67.38 -46.03 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -66.55 -43.78 84.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 12.6 t70 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -66.13 -50.29 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.414 HG21 ' CD1' ' B' ' 229' ' ' LEU . 2.0 t -59.31 -45.36 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.414 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 1.2 m-80 -55.76 -37.45 68.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.454 HG22 ' CG1' ' A' ' 19' ' ' VAL . 12.7 m . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.82 108.32 19.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.454 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 16.5 p -147.08 164.31 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.567 ' CD2' HD13 ' B' ' 229' ' ' LEU . 1.7 m-85 -137.83 146.61 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 71.4 m -124.83 108.32 11.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.496 ' CG1' HD12 ' B' ' 242' ' ' LEU . 73.1 t -98.12 124.28 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 1.4 m -108.1 148.86 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.98 113.13 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.414 HG21 ' O ' ' B' ' 217' ' ' VAL . 21.2 m -123.14 130.17 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.0 OUTLIER -98.19 99.26 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . 0.457 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -59.22 -14.06 9.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -79.85 -34.44 39.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.022 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -110.51 -4.47 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.83 12.29 34.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . 0.455 ' HB ' ' ND2' ' B' ' 212' ' ' ASN . 71.9 t -90.03 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 218' ' ' SER . . . . . . . . . . . . . 47.6 t -124.41 156.2 37.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 15.3 t -154.61 125.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.192 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.44 143.16 45.71 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -139.93 128.55 23.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -102.83 114.68 29.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.0 t -138.25 142.14 39.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -97.63 95.1 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.493 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 14.4 p -134.87 110.15 10.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.445 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.0 mtm -75.12 -28.23 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.48 -38.03 51.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' B' ' 206' ' ' TYR . 27.7 mt -52.48 -36.99 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 28.7 mt -79.36 -24.01 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 62.9 t -68.63 136.1 90.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.03 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.04 -34.99 74.14 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.467 ' CG1' ' HB ' ' B' ' 228' ' ' THR . 93.7 t -82.43 -46.57 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.503 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.23 -48.09 77.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -66.47 -35.53 80.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.407 ' O ' HD13 ' B' ' 242' ' ' LEU . 1.4 t -66.33 -48.66 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 39' ' ' ILE . 25.8 mm -64.55 -50.57 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.8 t70 -58.18 -46.12 86.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.496 HD12 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -60.43 -49.92 75.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.8 -47.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.6 -36.92 67.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.36 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.52 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 1.4 mptt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' GLU . . . -106.09 93.79 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.7 p -145.13 161.51 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.435 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' B' ' 212' ' ' ASN . 1.4 m-85 -137.64 142.77 41.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -113.85 108.24 16.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.481 ' CG1' HD11 ' A' ' 42' ' ' LEU . 49.5 t -103.63 112.6 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 94.7 m -107.45 123.65 48.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.507 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 4.2 t -120.73 123.04 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.7 m -130.43 145.04 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.3 m-20 -99.3 122.37 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -80.32 -17.11 53.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -83.86 -35.79 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -110.91 -3.14 15.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.97 23.26 30.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 t -89.91 120.66 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.0 141.64 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 t -152.82 124.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.71 146.46 43.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 1.061 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -140.29 128.04 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.58 112.75 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -138.57 127.24 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 24' ' ' GLU . 4.1 tp10 -89.06 96.78 10.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.8 p -133.95 112.34 12.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -86.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -27.5 61.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.506 HG21 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.41 -30.62 30.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' B' ' 239' ' ' ILE . 21.1 mt -57.65 -36.79 72.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.2 mt -78.11 -28.5 48.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 90.1 t -59.81 134.28 89.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.95 -40.69 85.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.506 ' CG2' HG21 ' A' ' 28' ' ' THR . 92.4 t -76.76 -44.12 33.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -61.8 -45.67 92.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 40' ' ' LYS . . . -59.53 -48.73 80.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.68 -34.64 76.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.87 -52.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 14.3 mm -60.73 -43.17 94.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.98 -41.24 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 4.9 t70 -57.1 -45.29 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.507 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.53 -53.1 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.24 -44.14 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.49 -37.72 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.47 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 8.4 p -147.61 166.13 28.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.558 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 3.1 m-85 -137.18 142.16 42.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.0 m -113.23 107.28 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.461 HG23 ' CG2' ' A' ' 10' ' ' VAL . 53.4 t -111.25 114.47 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' B' ' 219' ' ' VAL . 30.1 m -108.49 155.67 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.7 t -139.8 115.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 67.8 m -116.17 128.07 55.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.455 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' B' ' 215' ' ' ASN . 5.0 t30 -96.27 107.5 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.47 -13.74 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.563 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 1.6 t -67.25 -41.3 85.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.078 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . 0.618 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 11.5 t30 -118.76 -4.8 10.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 73.07 20.27 79.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' B' ' 212' ' ' ASN . 2.1 t -82.32 146.04 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' B' ' 211' ' ' THR . 40.2 t -128.99 152.12 48.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . 0.412 ' O ' ' CG2' ' B' ' 209' ' ' THR . 2.8 t -156.58 131.99 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.2 142.97 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -140.87 128.11 20.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.09 114.95 29.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 14.6 t -138.37 137.45 37.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.341 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' B' ' 224' ' ' GLU . 2.7 pt-20 -89.25 94.07 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 34.5 p -134.72 108.32 10.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.438 1.757 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.2 -28.72 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.488 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.25 -37.49 47.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' B' ' 206' ' ' TYR . 18.1 mt -52.11 -36.32 50.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 16.1 mt -81.03 -23.88 38.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 95.1 t -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.0 -43.34 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.58 -35.17 73.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.454 ' CG1' ' HB ' ' B' ' 228' ' ' THR . 75.4 t -82.31 -46.34 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.03 -43.49 92.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.519 ' CB ' ' HB3' ' A' ' 32' ' ' PRO . . . -55.93 -48.33 75.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 29.3 mt-10 -67.16 -35.81 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.5 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 1.9 t -66.36 -47.46 84.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.493 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 16.3 mm -65.27 -51.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.41 -42.2 99.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -58.37 -44.69 88.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -64.9 -52.31 57.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . 0.487 ' CG2' HD11 ' A' ' 29' ' ' LEU . 1.4 t -59.32 -43.41 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.47 -36.69 69.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 46.7 m . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.501 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.45 93.51 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 66.6 p -144.75 164.88 29.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 2.4 m-85 -137.2 142.25 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m -115.81 113.7 23.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.339 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG1' HD12 ' A' ' 42' ' ' LEU . 54.2 t -105.92 126.06 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 7.2 m -119.86 124.35 45.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 12.2 t -123.26 124.32 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.484 HG23 ' CA ' ' A' ' 18' ' ' SER . 90.2 m -129.08 141.53 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.3 p30 -100.21 99.07 9.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.458 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -57.37 -16.69 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -34.9 60.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -110.71 -5.03 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.78 13.07 37.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.485 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 76.1 t -90.31 140.84 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.484 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -116.67 151.64 35.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.931 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 t -152.32 124.15 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -122.66 144.96 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -140.09 127.76 21.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.31 113.89 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 t -136.56 126.74 26.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.03 95.98 10.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.3 p -134.16 114.21 12.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -89.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -27.49 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.502 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -52.19 -20.88 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 25' ' ' THR . 18.0 mt -63.05 -36.21 82.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mt -80.47 -23.78 39.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 79.2 t -61.85 134.74 94.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.498 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.01 -43.05 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.19 -42.3 90.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.3 t -74.35 -44.6 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -62.82 -47.59 82.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.507 ' CB ' ' HB3' ' B' ' 232' ' ' PRO . . . -58.5 -48.83 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 6.2 mt-10 -61.32 -34.11 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.1 t -70.35 -52.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 28.4 mm -59.56 -43.25 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.198 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -71.19 -40.9 70.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.9 t70 -59.81 -45.33 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.478 HD12 ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -62.08 -49.2 76.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' B' ' 229' ' ' LEU . 1.8 t -64.05 -46.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.13 -36.1 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.196 . . . . 0.0 109.306 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.34 108.19 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.2 p -147.8 160.02 43.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.577 ' CD1' HD12 ' B' ' 229' ' ' LEU . 1.0 OUTLIER -134.22 145.74 49.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 111.05 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.0 m -121.19 108.68 14.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 10' ' ' VAL . 53.6 t -103.74 126.45 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.459 HG21 ' CB ' ' B' ' 220' ' ' ASP . 2.5 m -115.58 150.2 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 1.7 t -140.4 114.48 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.488 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 6.1 m -119.98 131.0 55.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.58 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -96.63 98.56 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . 0.499 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -59.64 -14.59 14.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -79.75 -34.93 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -110.72 -1.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.18 14.19 24.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 77.1 t -90.02 144.28 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.488 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 40.3 t -131.2 150.05 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . 0.582 HG11 ' CE1' ' B' ' 221' ' ' TYR . 15.1 t -153.75 130.93 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.459 ' CB ' HG21 ' B' ' 209' ' ' THR . 0.0 OUTLIER -110.87 147.81 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . 0.698 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 7.1 m-85 -137.49 125.24 22.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -100.45 113.58 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -139.52 145.13 38.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.07 95.22 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 18.6 p -134.36 110.33 11.53 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -84.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.05 -29.18 60.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.504 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.23 -35.06 48.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' B' ' 206' ' ' TYR . 16.5 mt -52.33 -33.46 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 19.4 mt -83.46 -24.05 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.504 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 90.0 t -65.26 132.78 95.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.06 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -59.58 -37.05 77.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.472 ' CG2' HG11 ' B' ' 231' ' ' VAL . 45.6 t -81.69 -47.26 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -62.8 -45.2 93.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.515 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.28 -46.8 79.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.8 tt0 -67.53 -35.61 79.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.522 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 2.3 t -65.91 -54.44 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.462 ' CD1' HD12 ' A' ' 39' ' ' ILE . 19.9 mm -57.62 -51.05 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.04 -44.83 94.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.7 t70 -57.93 -44.08 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.698 ' CD2' ' CD1' ' B' ' 221' ' ' TYR . 0.4 OUTLIER -58.46 -50.01 75.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.14 -47.01 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 245' ' ' THR . . . . . 0.514 HG22 ' CE2' ' B' ' 221' ' ' TYR . 2.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.524 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.69 93.69 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.48 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 64.9 p -140.25 159.82 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.609 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 4.2 m-85 -137.15 142.05 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 m -113.14 109.73 19.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 42' ' ' LEU . 47.0 t -107.38 115.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.423 HG21 ' CA ' ' A' ' 20' ' ' ASP . 85.6 m -114.91 138.15 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.96 131.11 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.436 HG23 ' CA ' ' A' ' 18' ' ' SER . 52.5 m -133.42 142.17 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.12 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.624 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.5 m-20 -100.73 109.39 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -68.45 -13.53 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.9 OUTLIER -82.76 -34.76 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.18 -2.95 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 59.61 13.94 26.32 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 11' ' ' THR . 61.6 t -88.17 140.76 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.436 ' CA ' HG23 ' A' ' 11' ' ' THR . 41.5 t -120.34 157.52 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.2 t -155.35 125.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' CA ' HG21 ' A' ' 9' ' ' THR . 0.0 OUTLIER -118.09 140.65 49.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -140.92 128.09 20.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -96.31 112.4 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -137.79 124.26 20.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -89.19 95.77 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.448 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 1.5 p -132.96 113.81 13.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -86.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.482 HG23 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.95 -37.15 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 6' ' ' TYR . 17.7 mt -51.63 -32.31 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.42 -25.93 30.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 89.6 t -63.24 136.16 96.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.01 -42.08 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.45 -36.42 75.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.482 ' CG2' HG23 ' A' ' 28' ' ' THR . 41.7 t -82.29 -44.95 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.33 -46.81 84.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' B' ' 232' ' ' PRO . . . -59.59 -49.65 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.1 mt-10 -62.78 -35.32 79.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 1.2 t -68.07 -51.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.41 HG23 ' O ' ' B' ' 229' ' ' LEU . 1.3 mm -61.36 -48.22 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -65.09 -43.86 90.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.608 1.192 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.5 t0 -57.77 -44.5 86.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -63.81 -54.25 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -58.17 -46.4 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.45 -36.66 66.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.388 -179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.68 108.4 19.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.44 165.72 30.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.56 1.163 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.624 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.4 m-85 -136.9 146.69 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 93.5 m -124.23 109.27 13.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' B' ' 242' ' ' LEU . 55.8 t -103.32 126.62 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 4.2 m -113.39 148.64 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.444 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.0 t -140.41 114.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 55.1 m -119.49 131.75 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.379 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.9 m-20 -97.35 98.99 10.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . 0.48 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.89 -12.46 17.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -73.75 -39.43 64.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.61 -6.39 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.88 11.36 73.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.593 1.183 . . . . 0.0 111.076 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 42.4 t -81.33 142.84 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.463 ' C ' ' CG2' ' B' ' 219' ' ' VAL . 46.7 t -132.43 149.68 52.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . 0.592 HG12 ' CE1' ' B' ' 221' ' ' TYR . 5.8 t -153.85 138.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.476 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -116.89 148.4 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . 0.681 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 3.6 m-85 -137.39 125.58 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -101.77 112.39 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 4.8 t -138.15 151.81 48.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 2.0 tm-20 -109.23 93.16 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 3.2 p -134.88 108.93 10.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . 0.483 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.1 Cg_endo -75.1 -83.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 227' ' ' MET . . . . . 0.483 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.75 -30.07 62.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.498 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.72 -33.32 34.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' B' ' 225' ' ' THR . 17.1 mt -55.72 -41.43 73.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.31 -24.53 60.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.6 t -66.75 135.0 94.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.09 -42.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.528 1.804 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.29 -34.23 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' B' ' 228' ' ' THR . 97.7 t -82.15 -47.03 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.19 -44.11 89.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.78 -46.75 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 19.2 mt-10 -67.08 -35.72 80.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.532 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 2.8 t -66.38 -54.65 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 17.4 mm -57.01 -51.3 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -63.24 -44.52 94.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.3 t70 -57.88 -44.29 86.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.681 ' CD2' ' CD1' ' B' ' 221' ' ' TYR . 0.5 OUTLIER -58.93 -51.8 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.84 -44.92 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.374 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.43 -37.36 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 245' ' ' THR . . . . . 0.417 HG21 ' CE2' ' B' ' 221' ' ' TYR . 2.1 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.414 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.62 93.61 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.457 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 56.0 p -140.5 158.27 44.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.6 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 8.6 m-85 -136.57 139.47 42.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -114.06 113.83 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.486 ' CG1' HD12 ' A' ' 42' ' ' LEU . 55.7 t -104.18 120.82 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 20' ' ' ASP . 24.8 m -112.78 130.64 56.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -125.72 119.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 m -124.16 142.04 51.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.648 ' O ' ' N ' ' A' ' 16' ' ' GLY . 4.9 m-20 -99.66 99.01 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.459 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -61.17 -14.31 24.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.1 p -82.26 -36.27 27.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -111.15 2.13 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.79 17.46 9.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.382 1.051 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.5 t -90.43 120.28 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.53 151.83 21.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.025 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -153.47 126.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -121.91 141.1 51.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.3 128.85 21.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.57 113.66 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.4 t -136.64 121.36 18.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -89.43 96.9 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 12.6 p -132.42 113.68 14.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.54 -28.8 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -52.16 -32.21 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 25' ' ' THR . 15.0 mt -53.24 -31.55 43.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.71 -29.23 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 76.9 t -57.77 134.58 83.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.96 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.39 -37.82 78.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.476 ' CG2' HG11 ' A' ' 31' ' ' VAL . 98.8 t -79.34 -44.05 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.73 -45.23 90.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' B' ' 232' ' ' PRO . . . -60.61 -49.87 75.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 27.7 mt-10 -62.94 -33.66 75.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.49 HG11 ' CD1' ' A' ' 42' ' ' LEU . 1.3 t -70.44 -47.75 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.412 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 8.5 mm -66.18 -42.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -70.54 -44.46 67.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.8 t70 -57.07 -45.44 83.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.49 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.07 -53.42 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.5 t -57.7 -47.78 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -56.52 -35.19 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.389 1.056 . . . . 0.0 110.409 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.15 107.91 19.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 45.1 p -147.94 165.8 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.62 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -135.44 145.84 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.6 m -116.71 106.73 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.48 ' CG1' HD12 ' B' ' 242' ' ' LEU . 55.6 t -105.24 117.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.437 HG21 ' CB ' ' B' ' 220' ' ' ASP . 1.7 m -109.32 146.32 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . 0.483 ' CG2' HD23 ' B' ' 242' ' ' LEU . 2.4 t -140.02 113.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 40.8 m -125.18 132.56 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.6 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -96.48 112.73 24.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . 0.419 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -71.44 -14.49 62.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -82.76 -35.97 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -110.45 0.64 17.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 53.64 19.48 9.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.419 1.075 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.83 120.19 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.488 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.45 138.63 47.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . 0.602 HG13 ' CE1' ' B' ' 221' ' ' TYR . 17.2 t -149.31 137.57 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.528 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -117.91 149.15 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . 0.702 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 3.2 m-85 -138.06 126.01 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.37 113.32 26.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.8 148.67 44.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.25 94.26 5.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 1.8 p -134.59 111.49 11.52 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 110.459 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -85.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 36.5 mmt -73.7 -28.67 61.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.5 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.02 -36.45 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.521 ' CD1' ' O ' ' B' ' 225' ' ' THR . 26.6 mt -53.89 -37.67 63.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.28 -26.46 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.5 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 61.3 t -65.07 134.06 95.89 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.05 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.24 -34.95 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . . . . . . . . . 87.7 t -81.7 -45.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -66.18 -42.53 88.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -57.6 -48.28 79.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 2.5 tt0 -66.51 -35.43 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.516 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 1.5 t -66.11 -55.18 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.456 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 17.3 mm -57.1 -51.04 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.98 -43.9 97.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.7 t70 -57.35 -44.56 84.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.702 ' CD2' ' CD1' ' B' ' 221' ' ' TYR . 0.4 OUTLIER -59.15 -52.79 64.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.22 -45.2 96.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.95 -38.73 70.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 245' ' ' THR . . . . . 0.43 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 1.3 m . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.508 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.19 93.85 4.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.3 p -138.92 155.42 48.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 7.1 m-85 -133.38 136.78 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.461 ' CG2' ' OD1' ' A' ' 20' ' ' ASP . 15.6 m -113.75 115.32 27.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 42' ' ' LEU . 54.9 t -100.6 124.38 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.454 HG21 ' CB ' ' A' ' 20' ' ' ASP . 2.0 m -114.37 133.19 55.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 t -129.79 122.71 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.476 HG21 ' CA ' ' A' ' 18' ' ' SER . 87.7 m -127.67 142.45 51.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.9 101.45 12.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -60.38 -13.37 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.237 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.7 OUTLIER -81.48 -35.8 30.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.71 -1.38 16.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 58.36 15.35 23.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' HG21 ' A' ' 11' ' ' THR . 53.5 t -90.32 137.66 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.476 ' CA ' HG21 ' A' ' 11' ' ' THR . 47.4 t -119.06 155.7 31.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -155.9 132.95 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 3.4 t0 -124.94 144.76 50.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.92 127.96 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -94.45 113.43 25.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -136.55 126.95 26.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -88.52 95.18 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 13.9 p -134.92 116.4 12.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -90.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -27.2 60.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -52.77 -18.64 1.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 25' ' ' THR . 24.1 mt -65.07 -41.59 94.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.9 -26.89 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 89.9 t -57.77 134.94 83.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.51 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.97 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.377 1.725 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.63 -35.59 72.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 28' ' ' THR . 8.4 t -81.91 -45.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.44 -46.73 84.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.488 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -58.66 -48.83 79.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.2 tt0 -64.74 -34.88 79.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.8 -47.69 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 34.2 mm -65.07 -46.27 91.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.28 -44.64 78.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t70 -57.87 -45.0 86.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.487 HD11 ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -63.67 -52.67 59.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.71 -48.99 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -56.12 -34.36 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . 0.42 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.24 107.35 18.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.7 p -145.95 164.16 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.593 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 2.5 m-85 -137.78 143.55 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 21.5 m -122.05 108.22 13.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . . . . . . . . . 78.6 t -99.19 122.7 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 220' ' ' ASP . 1.6 m -107.37 146.37 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 3.5 t -139.88 113.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 52.7 m -126.48 134.44 50.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.629 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -97.13 115.17 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -13.51 61.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -83.05 -36.05 25.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.982 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -110.33 -1.51 17.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.46 16.83 16.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 43.0 t -88.09 125.79 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.421 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.65 148.07 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 69.2 t -153.11 134.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.7 145.94 49.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -140.61 128.16 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -103.88 115.46 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 7.5 t -138.52 145.21 40.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -94.58 93.65 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 110.303 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 12.1 p -134.5 104.98 10.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -80.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.43 1.753 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -29.36 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.475 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.15 -38.97 55.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' B' ' 206' ' ' TYR . 16.8 mt -51.71 -34.21 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.381 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 17.4 mt -82.92 -22.72 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 99.6 t -69.43 136.03 88.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.93 -42.6 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.6 -34.76 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' B' ' 228' ' ' THR . 80.6 t -82.03 -46.65 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.03 -45.61 84.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.515 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -55.22 -48.34 74.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.546 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -67.98 -34.98 77.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.507 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 2.1 t -66.24 -52.83 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.428 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.0 mm -60.02 -51.1 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.214 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.2 OUTLIER -62.26 -44.99 95.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 13.8 t0 -57.23 -45.53 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -63.35 -52.52 61.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.24 -44.53 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 1.0 OUTLIER -56.52 -36.87 69.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 63.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.434 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.431 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.12 93.37 4.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.443 ' OG1' ' HB2' ' B' ' 213' ' ' ASN . 70.6 p -136.16 165.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.599 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.1 144.28 43.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -119.45 108.67 14.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 110.407 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 42' ' ' LEU . 74.5 t -100.68 128.73 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 19' ' ' VAL . 17.0 m -124.1 129.16 50.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.487 ' CG2' HD21 ' A' ' 42' ' ' LEU . 2.9 t -124.27 126.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 99.9 m -129.9 137.45 50.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.591 ' O ' ' N ' ' A' ' 16' ' ' GLY . 5.0 p30 -100.37 98.96 9.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -56.81 -16.1 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -76.7 -34.98 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -111.29 -4.33 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.44 14.56 35.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 41.2 t -90.58 127.68 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.509 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 1.0 OUTLIER -114.63 147.98 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.066 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.612 HG13 ' CE1' ' A' ' 21' ' ' TYR . 34.4 t -147.49 154.85 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.507 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -134.76 147.55 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.659 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 2.9 m-85 -138.63 126.37 22.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -105.4 111.97 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.262 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -138.27 139.87 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -90.74 94.12 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 p -133.6 110.74 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -86.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -27.77 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.502 HG22 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.38 -24.26 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.522 HD13 ' CE2' ' A' ' 6' ' ' TYR . 27.2 mt -61.95 -37.3 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mt -81.45 -23.44 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 74.6 t -62.12 133.66 94.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.06 -44.12 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.502 ' CG2' HG22 ' A' ' 28' ' ' THR . 78.4 t -80.15 -44.51 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -64.84 -41.86 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.5 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -61.81 -49.44 76.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.4 mt-10 -64.31 -34.44 78.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.513 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 2.4 t -69.87 -53.51 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.477 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 14.9 mm -57.34 -47.63 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -66.83 -44.94 79.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.9 t70 -57.53 -44.91 85.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.659 ' CD2' ' CD1' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -59.35 -51.35 70.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.76 -48.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.1 m-80 -57.31 -36.73 71.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.414 ' HB ' ' OH ' ' A' ' 21' ' ' TYR . 3.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.35 107.59 18.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 16.9 p -147.9 161.43 41.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.581 ' CD2' HD13 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -136.32 148.38 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.0 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.7 m -127.5 109.13 11.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.492 ' CG1' HD12 ' B' ' 242' ' ' LEU . 54.1 t -102.82 126.29 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 2.0 m -112.56 147.59 36.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 5.7 t -139.81 115.17 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.5 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 5.6 m -124.97 131.09 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.55 98.9 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . 0.443 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 1.0 OUTLIER -58.91 -15.42 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -78.73 -34.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -109.72 -3.45 16.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.5 12.98 35.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 70.9 t -89.73 144.52 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.5 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.3 t -127.68 154.84 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' B' ' 245' ' ' THR . 51.3 t -155.23 127.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.39 143.56 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -140.2 127.93 21.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -101.68 114.34 28.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 110.222 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 223' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 206' ' ' TYR . 13.8 t -138.32 149.66 45.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.072 . . . . 0.0 110.366 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.46 94.7 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 12.0 p -133.52 106.59 11.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.96 -82.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.548 1.815 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -74.23 -29.97 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.49 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -53.77 -39.1 65.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' B' ' 206' ' ' TYR . 15.9 mt -51.57 -34.88 38.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.38 -25.91 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 88.3 t -65.1 135.96 96.49 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.47 -35.06 74.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' B' ' 228' ' ' THR . 70.6 t -82.1 -46.55 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.2 -43.74 94.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.52 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.89 -48.2 78.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.2 mm-40 -70.55 -34.98 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.51 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 1.7 t -68.87 -36.99 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.469 ' CG1' HG12 ' A' ' 39' ' ' ILE . 2.9 mm -77.52 -45.65 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -67.26 -43.88 80.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 30.4 t0 -57.69 -44.98 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' B' ' 238' ' ' VAL . 0.2 OUTLIER -63.38 -48.65 76.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.7 t -62.85 -47.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.5 OUTLIER -56.31 -32.72 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 245' ' ' THR . . . . . 0.455 HG22 ' CG1' ' B' ' 219' ' ' VAL . 50.0 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' B' ' 214' ' ' SER . 3.8 mptp? . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.4 93.4 4.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 p -140.3 165.87 26.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' B' ' 212' ' ' ASN . 0.9 OUTLIER -138.07 143.57 40.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 m -121.9 107.55 12.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.49 ' CG1' HD12 ' A' ' 42' ' ' LEU . 40.9 t -95.17 113.28 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.474 ' CG2' ' CG ' ' A' ' 20' ' ' ASP . 1.3 m -101.12 122.68 44.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.517 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 16.8 t -123.06 119.9 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.0 m -129.17 144.43 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.426 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.592 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 1.4 m-20 -98.84 120.28 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -80.82 -15.72 55.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.54 -35.49 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -110.82 -10.56 14.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.09 22.65 69.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.7 t -90.16 121.56 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.84 140.29 39.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -153.64 126.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 6.2 t0 -120.56 148.37 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.4 ' OH ' ' OG1' ' A' ' 45' ' ' THR . 2.3 m-85 -137.94 127.6 25.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -88.9 114.01 25.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -136.6 120.32 17.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.62 94.81 10.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.401 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -134.34 117.98 13.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -90.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.12 -27.34 60.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.486 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -52.44 -29.35 24.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.496 HD12 ' CE2' ' A' ' 6' ' ' TYR . 16.1 mt -52.73 -32.32 42.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.613 1.196 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.93 -31.65 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 97.2 t -55.25 133.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.487 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.95 -41.72 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.8 -35.64 73.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 28' ' ' THR . 19.8 t -82.11 -45.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.18 -48.11 79.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' B' ' 232' ' ' PRO . . . -58.43 -48.12 81.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -61.36 -34.06 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 ' CG1' HD11 ' B' ' 239' ' ' ILE . 2.9 t -71.06 -52.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 17.2 mm -60.4 -42.05 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -72.58 -41.4 65.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t0 -57.77 -45.09 86.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.517 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -62.46 -51.76 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG1' HD22 ' B' ' 230' ' ' LEU . 1.5 t -61.35 -46.7 96.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.44 -37.08 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.4 ' OG1' ' OH ' ' A' ' 21' ' ' TYR . 3.5 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . 0.41 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.17 107.37 18.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.495 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 43.7 p -148.88 164.53 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.592 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.7 m-85 -136.35 143.1 43.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.1 m -113.39 107.83 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.496 ' CG1' HD11 ' B' ' 242' ' ' LEU . 74.3 t -104.92 116.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.486 HG21 ' CB ' ' B' ' 220' ' ' ASP . 1.6 m -108.18 148.86 29.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.408 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.24 114.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 96.5 m -123.89 132.26 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.3 OUTLIER -98.92 100.4 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.64 -15.71 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 18.3 p -70.06 -38.42 75.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . 0.522 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.5 t30 -113.94 -6.46 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 67.9 10.56 58.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . 0.403 ' O ' ' ND2' ' B' ' 212' ' ' ASN . 21.0 t -82.71 125.7 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.446 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.3 OUTLIER -110.87 139.69 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 54.5 t -137.32 131.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.486 ' CB ' HG21 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.96 144.65 46.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -141.63 128.38 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -97.5 114.51 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.94 144.6 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 95.22 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.471 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 15.8 p -134.29 110.83 11.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -85.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.9 mtm -75.6 -28.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.507 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.1 OUTLIER -51.89 -34.21 40.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.427 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 16.7 mt -51.92 -32.86 34.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . 0.456 HD22 ' CG1' ' A' ' 43' ' ' VAL . 20.1 mt -81.91 -26.07 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 99.6 t -64.73 133.77 95.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.89 -42.79 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.433 1.754 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.51 -34.99 73.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' B' ' 228' ' ' THR . 38.8 t -83.12 -46.48 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.43 -44.04 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' B' ' 232' ' ' PRO . . . -57.18 -48.43 78.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 3.1 tt0 -65.33 -36.37 83.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.3 t -66.92 -48.11 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.462 HD11 ' CG1' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -65.63 -48.48 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.19 -42.86 96.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.4 t70 -58.8 -45.18 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.496 HD11 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -61.48 -47.59 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.8 t -65.79 -46.83 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.411 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.91 -36.76 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' B' ' 214' ' ' SER . 30.3 mmtt . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.06 93.6 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 67.0 p -135.52 162.29 33.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.618 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.46 142.72 41.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 m -116.48 108.61 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 42' ' ' LEU . 61.9 t -102.99 120.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 6.8 m -116.52 131.96 56.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.48 ' CG2' HD23 ' A' ' 42' ' ' LEU . 2.6 t -126.72 121.74 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.216 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 54.4 m -125.63 140.28 52.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.4 111.51 23.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.11 -14.23 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -82.38 -35.0 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -110.43 -5.79 15.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.73 19.5 58.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.4 t -90.93 124.18 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.256 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.508 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -114.24 144.17 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.059 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' A' ' 21' ' ' TYR . 21.9 t -150.88 150.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -130.02 148.67 51.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.676 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 2.6 m-85 -138.41 125.84 21.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.5 110.74 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 t -138.72 129.02 25.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.83 96.14 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.524 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 12.1 p -133.92 116.9 13.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -87.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.563 1.823 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.3 mtm -74.4 -28.87 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.476 HG21 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -50.99 -25.35 4.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.589 HD12 ' CE2' ' A' ' 6' ' ' TYR . 31.3 mt -64.62 -38.29 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.37 -22.58 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 88.9 t -63.4 136.07 96.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.95 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.8 -35.25 74.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.476 ' CG2' HG21 ' A' ' 28' ' ' THR . 77.1 t -80.7 -45.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.506 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -64.22 -45.77 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -59.32 -48.87 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -63.73 -35.05 79.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.518 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 2.1 t -69.25 -53.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 11.9 mm -57.31 -46.8 85.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.26 -42.63 79.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.3 t70 -58.31 -45.03 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.676 ' CD2' ' CD1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -59.76 -52.54 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 t -63.54 -47.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.437 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 1.3 m-80 -56.15 -39.29 72.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.63 107.51 18.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 31.5 p -148.86 159.65 43.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.059 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.584 ' HH ' ' ND2' ' A' ' 12' ' ' ASN . 5.9 m-85 -135.8 141.43 44.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.207 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.0 m -116.69 108.22 15.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.434 ' CG2' HG21 ' A' ' 10' ' ' VAL . 75.4 t -101.11 120.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.479 HG22 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -105.21 144.9 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.447 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 5.8 t -140.27 115.54 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.415 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 55.4 m -127.55 134.56 49.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.618 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.83 99.68 11.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . 0.451 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.61 -13.33 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -80.97 -35.62 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -111.07 -0.63 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.03 16.75 34.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 55.9 t -90.77 124.92 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.415 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.27 149.06 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 67.9 t -153.63 135.0 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.479 ' CB ' HG22 ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.74 145.66 49.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . 0.406 ' CE2' HG22 ' B' ' 245' ' ' THR . 4.2 m-85 -141.23 128.26 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -102.75 114.52 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.9 t -138.98 151.42 46.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 110.444 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.86 94.99 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.474 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 20.8 p -133.73 106.27 11.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -81.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.3 mtm -73.84 -30.22 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.476 ' HB ' ' CG1' ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.74 -40.09 62.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 19.0 mt -52.45 -36.28 54.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.4 mt -80.94 -24.08 38.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' B' ' 232' ' ' PRO . 96.4 t -68.54 136.08 90.64 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.96 -42.26 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.58 -35.07 75.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.476 ' CG1' ' HB ' ' B' ' 228' ' ' THR . 69.1 t -82.73 -46.65 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -63.94 -45.86 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.506 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -55.72 -48.55 74.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.9 OUTLIER -67.64 -35.27 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.505 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 2.1 t -66.15 -52.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.433 ' HB ' ' CB ' ' A' ' 35' ' ' ALA . 23.4 mm -59.93 -50.69 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.54 -43.29 97.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -57.4 -44.65 84.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -65.72 -54.29 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.7 t -57.16 -43.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.0 OUTLIER -55.51 -38.24 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 245' ' ' THR . . . . . 0.406 HG22 ' CE2' ' B' ' 221' ' ' TYR . 19.2 m . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' B' ' 214' ' ' SER . 4.4 mmtm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.0 93.75 4.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -136.18 166.84 22.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' B' ' 212' ' ' ASN . 2.9 m-85 -138.14 141.3 40.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -112.99 108.6 17.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.533 ' CG1' ' CD1' ' A' ' 42' ' ' LEU . 24.1 t -105.14 118.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 28.5 m -116.34 123.0 46.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.489 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 3.0 t -119.98 120.38 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.9 m -127.88 143.48 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.603 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 6.2 m-20 -98.73 122.46 41.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.58 -15.57 54.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.35 -35.9 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -111.38 -9.55 14.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.71 22.04 65.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.8 t -90.17 123.0 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 0.719 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.13 145.97 29.83 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -152.94 123.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.88 144.34 48.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.8 127.72 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.98 113.63 24.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 t -137.16 121.82 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.453 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.91 95.91 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 35.0 p -134.17 115.49 12.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -27.66 60.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -52.27 -21.47 3.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 25' ' ' THR . 22.4 mt -62.83 -40.12 96.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.57 -25.59 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 98.2 t -61.52 134.26 93.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.497 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -75.05 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.78 -37.54 76.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.469 ' CG2' HG22 ' A' ' 28' ' ' THR . 17.0 t -81.13 -45.82 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.505 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -61.83 -48.31 81.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -57.8 -48.88 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.9 tm-20 -62.18 -35.33 78.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.416 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.3 t -69.14 -53.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 20.2 mm -57.47 -50.63 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.4 t0 -61.6 -44.49 96.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.533 ' CD1' ' CG1' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -63.17 -50.28 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 t -63.17 -44.96 99.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.19 -39.38 69.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 110.453 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.83 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 12.6 p -147.54 162.84 38.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.478 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 4.5 m-85 -135.47 141.34 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.9 m -112.61 108.85 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' B' ' 242' ' ' LEU . 34.2 t -108.57 113.57 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' B' ' 220' ' ' ASP . 1.1 m -102.58 147.77 26.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . 0.479 ' HB ' ' CD2' ' B' ' 242' ' ' LEU . 2.3 t -140.07 114.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 59.8 m -129.78 130.76 45.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.412 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.575 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 0.2 OUTLIER -98.87 100.15 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.71 -17.11 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -68.3 -37.8 81.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.961 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . 0.497 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.7 t30 -112.88 -8.12 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 69.35 12.65 66.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . 0.407 ' HB ' ' OD1' ' B' ' 212' ' ' ASN . 25.1 t -86.54 125.47 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.229 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.433 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -110.4 150.12 29.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 37.3 t -152.63 129.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.393 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.69 144.05 46.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -139.87 128.02 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -103.43 114.68 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.93 151.93 47.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 1.6 tm-20 -106.94 94.38 5.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.53 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 46.3 p -135.28 106.11 10.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . 0.474 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.6 Cg_endo -74.97 -82.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.551 1.816 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 227' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.46 -30.57 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.86 -37.68 53.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.53 ' CD1' ' O ' ' B' ' 225' ' ' THR . 16.6 mt -52.22 -36.33 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.94 -22.14 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.3 t -70.6 136.67 85.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.94 -42.68 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.1 -34.99 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.45 ' CG1' ' HB ' ' B' ' 228' ' ' THR . 59.0 t -82.66 -46.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.55 -45.77 85.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.505 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -55.68 -47.7 76.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.8 OUTLIER -66.41 -35.28 79.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.403 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.41 -52.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 7.0 mm -60.19 -49.29 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.98 -41.01 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 0.8 OUTLIER -58.43 -45.45 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.479 ' CD2' ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -62.58 -50.34 71.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.5 t -62.35 -44.51 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.427 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.78 -37.72 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.475 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.75 93.59 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -143.23 160.35 40.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.41 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.58 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 4.6 m-85 -132.46 142.82 49.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -112.47 109.81 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.593 1.183 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.496 ' CG1' ' CD1' ' A' ' 42' ' ' LEU . 7.2 t -105.25 115.06 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 93.5 m -113.43 128.95 56.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.495 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 5.6 t -125.31 121.39 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.0 m -127.58 144.92 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.6 m-20 -99.14 122.01 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.468 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.3 -15.37 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.457 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.32 -36.38 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -111.13 -7.16 14.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.74 23.49 61.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.587 1.179 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 t -90.34 120.22 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.49 145.52 29.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.08 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.2 t -152.84 124.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.05 144.57 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.11 128.36 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -97.98 113.51 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.3 t -137.04 129.79 30.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.21 95.92 10.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.6 p -133.77 112.47 12.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 -86.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.58 -28.14 61.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.491 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.2 -34.38 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 25' ' ' THR . 24.2 mt -54.47 -36.25 63.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -80.34 -26.13 38.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 89.2 t -63.03 137.38 97.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.02 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.773 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.73 -44.77 90.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 28' ' ' THR . 72.0 t -72.15 -44.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -62.5 -48.31 80.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' B' ' 232' ' ' PRO . . . -58.52 -48.81 79.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -61.73 -35.11 77.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -52.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 33.4 mm -59.85 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -62.14 -42.31 99.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.5 t0 -58.8 -44.52 90.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD1' ' CG1' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -59.93 -52.26 66.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 t -63.64 -44.15 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.4 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.08 -37.13 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 110.5 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 204' ' ' ALA . . . . . 0.457 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.76 107.83 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 205' ' ' THR . . . . . 0.468 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 11.5 p -147.84 166.9 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 206' ' ' TYR . . . . . 0.549 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 3.2 m-85 -137.07 143.32 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.7 m -111.79 107.73 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 208' ' ' VAL . . . . . 0.489 HG11 ' CD2' ' B' ' 242' ' ' LEU . 50.3 t -106.17 119.33 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 209' ' ' THR . . . . . 0.483 HG22 ' CB ' ' B' ' 220' ' ' ASP . 1.9 m -112.14 147.11 36.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 210' ' ' VAL . . . . . 0.477 ' CG2' HD21 ' B' ' 242' ' ' LEU . 2.6 t -140.35 114.13 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 211' ' ' THR . . . . . 0.479 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 57.1 m -122.38 134.6 54.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 212' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -97.08 101.15 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -14.03 29.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 214' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 1.2 p -82.06 -34.92 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -111.02 0.24 16.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 216' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.14 17.18 16.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 43.4 t -90.76 125.16 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 218' ' ' SER . . . . . 0.479 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -114.31 142.31 46.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 219' ' ' VAL . . . . . 0.585 HG13 ' CE1' ' B' ' 221' ' ' TYR . 4.2 t -149.84 137.04 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.326 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 220' ' ' ASP . . . . . 0.483 ' CB ' HG22 ' B' ' 209' ' ' THR . 0.0 OUTLIER -117.11 148.92 41.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 221' ' ' TYR . . . . . 0.726 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 3.9 m-85 -137.96 126.31 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.45 114.0 27.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -138.43 151.93 47.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' B' ' 204' ' ' ALA . 28.0 tt0 -104.98 93.29 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 225' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 5.3 p -134.58 107.12 10.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 38.4 mmt -74.94 -29.18 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 228' ' ' THR . . . . . 0.481 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.07 -33.91 41.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.46 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 229' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 16.1 mt -53.75 -32.94 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 19.1 mt -83.93 -22.01 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 231' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 88.4 t -67.96 134.02 91.94 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.214 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 232' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.02 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.5 -34.29 73.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 234' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' B' ' 228' ' ' THR . 96.3 t -82.42 -46.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 235' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.4 -43.96 88.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 236' ' ' ALA . . . . . 0.515 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.43 -48.48 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 237' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 5.5 tt0 -66.85 -35.61 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 238' ' ' VAL . . . . . 0.524 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 2.0 t -65.71 -55.32 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 239' ' ' ILE . . . . . 0.428 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 30.0 mm -56.93 -51.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 241' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.0 -44.36 87.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 242' ' ' LEU . . . . . 0.726 ' CD2' ' CD1' ' B' ' 221' ' ' TYR . 0.5 OUTLIER -59.48 -49.78 76.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.8 t -67.93 -45.55 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 244' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.07 -38.5 68.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.462 0.173 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -127.04 81.66 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -105.72 171.15 7.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.05 93.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 59.3 p -137.07 163.25 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.14 142.46 42.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 m -118.33 109.22 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' CG1' HD13 ' A' ' 42' ' ' LEU . 51.3 t -103.22 119.14 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.373 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 36.9 m -111.88 123.19 49.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.487 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 3.5 t -118.5 124.16 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.9 m -131.76 143.9 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.587 ' OD1' ' CE1' ' B' ' 206' ' ' TYR . 1.2 m-20 -99.07 121.51 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -81.63 -15.85 53.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.36 -35.88 24.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -110.48 -9.84 14.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 64.22 23.17 67.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 46' ' ' VAL . 10.4 t -90.67 121.93 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.725 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.79 146.36 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.949 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.7 t -152.67 124.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -120.69 140.82 51.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -140.54 129.09 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -90.86 114.33 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.4 t -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.6 pt-20 -88.58 95.8 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.2 p -133.33 118.44 14.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.757 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -27.63 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -52.21 -20.27 2.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 25' ' ' THR . 29.0 mt -64.63 -40.24 95.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.96 -26.34 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 85.7 t -60.38 133.88 91.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -74.96 -43.85 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -57.89 -36.95 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 28' ' ' THR . 24.5 t -81.19 -45.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -61.82 -44.37 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.485 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -59.96 -49.26 78.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.95 -34.67 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.62 -52.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 16.5 mm -60.3 -43.61 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.9 -40.62 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.2 t70 -58.4 -44.4 88.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.497 HD13 ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -64.31 -51.42 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' CG2' HD12 ' B' ' 229' ' ' LEU . 1.5 t -60.19 -47.12 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.74 -36.67 67.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.0 m -72.42 -41.37 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.48 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 4.7 t -60.94 -44.35 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -72.94 -26.46 61.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.95 -37.1 66.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.049 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.02 -23.46 59.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.98 -47.18 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.419 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 14.2 p -83.7 155.23 23.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 51' ' ' THR . 20.7 tt0 80.23 -57.57 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.543 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -100.9 176.34 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.616 1.197 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.543 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER 27.07 83.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 80.33 147.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.485 1.115 . . . . 0.0 109.561 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -84.49 159.0 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.86 136.9 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.1 t -153.68 -72.52 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 108.271 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.68 -57.2 6.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.438 ' CD1' ' C ' ' A' ' 60' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 7.1 mtm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.547 0.213 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -156.61 81.05 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.448 1.092 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.79 154.24 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . 0.449 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.72 107.9 18.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.05 166.52 27.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.587 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -136.94 145.26 44.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 3.2 m -116.25 107.99 15.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.486 ' CG1' HD12 ' B' ' 242' ' ' LEU . 48.0 t -109.87 115.94 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 2.1 m -104.99 150.27 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . 0.44 HG12 ' CG2' ' B' ' 246' ' ' VAL . 2.2 t -139.64 114.6 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.496 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 3.1 m -125.05 132.06 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.4 OUTLIER -96.75 99.3 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . 0.405 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -60.4 -12.64 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.01 -35.49 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -110.54 -2.62 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.53 13.35 37.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.413 ' CG1' HG13 ' B' ' 246' ' ' VAL . 79.0 t -89.28 144.99 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 109.23 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.496 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.0 t -127.27 154.73 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.414 ' HB ' ' CG2' ' B' ' 246' ' ' VAL . 45.5 t -155.24 124.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.84 143.97 43.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -140.75 127.58 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -101.54 113.42 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -138.11 149.17 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.23 95.09 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.484 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 19.8 p -133.58 108.58 12.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.352 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.02 -29.66 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.481 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.11 -36.39 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.437 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 15.6 mt -51.23 -32.35 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.78 -25.99 32.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 95.3 t -63.97 134.64 96.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.479 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.6 Cg_endo -74.88 -43.53 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.69 -35.42 74.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.459 ' CG2' HG11 ' B' ' 231' ' ' VAL . 60.6 t -81.84 -45.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.375 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.512 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -58.06 -47.88 81.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -68.18 -35.18 77.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.43 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 1.5 t -68.61 -39.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.404 ' HB ' ' CB ' ' A' ' 35' ' ' ALA . 9.4 mm -75.24 -44.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -68.51 -40.97 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.2 t70 -60.09 -45.68 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.486 HD12 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -61.06 -49.14 78.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.6 t -64.65 -45.19 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.45 -36.5 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 88.7 m -71.9 -43.91 64.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' B' ' 242' ' ' LEU . 19.2 t -60.23 -43.93 94.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -73.24 -26.99 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.5 p -53.26 -36.16 60.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -71.87 -22.43 61.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.49 -32.29 58.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 16.0 p -93.1 141.28 28.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -49.45 -40.11 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -77.47 133.93 38.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.05 27.83 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -104.58 103.7 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.4 1.063 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -115.22 136.81 52.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 2.6 m -63.93 118.23 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 8.9 t -163.34 58.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.355 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 61.58 132.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.45 0.167 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.47 83.54 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' B' ' 214' ' ' SER . 2.4 mmtt -103.66 170.18 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.1 93.29 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 65.8 p -135.71 163.4 30.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.617 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 4.5 m-85 -136.73 140.68 42.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.21 109.88 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.491 ' CG1' HD11 ' A' ' 42' ' ' LEU . 64.4 t -102.21 129.41 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 13.4 m -124.43 124.16 41.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.05 125.35 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.438 HG22 ' CA ' ' A' ' 18' ' ' SER . 52.2 m -131.09 142.3 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.2 m-20 -101.25 100.39 10.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -61.62 -13.27 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.0 OUTLIER -81.71 -35.0 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -110.79 -1.67 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.32 14.68 34.85 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 18' ' ' SER . 56.2 t -90.02 139.46 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.438 ' CA ' HG22 ' A' ' 11' ' ' THR . 39.6 t -119.27 157.44 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -155.03 124.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.66 138.63 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -141.48 128.05 20.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -89.86 112.73 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -136.83 120.13 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -88.47 96.49 10.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.213 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 22.2 p -132.41 114.27 14.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -87.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -28.44 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.488 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.41 -33.1 28.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 6' ' ' TYR . 19.0 mt -54.26 -36.48 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 mt -81.74 -23.54 36.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 97.4 t -65.97 135.25 95.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.459 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.557 1.819 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.2 -38.69 77.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.67 -45.54 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -61.47 -48.28 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.493 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -58.38 -49.37 77.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 9.0 mm-40 -63.29 -34.51 77.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.493 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -69.02 -48.98 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 10.7 mm -64.12 -47.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -65.88 -44.54 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.9 t70 -57.03 -44.45 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -64.22 -53.79 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.43 -48.45 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.48 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 m -73.98 -43.72 57.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 4.5 t -60.45 -41.37 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -73.48 -31.56 63.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -33.9 60.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.955 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -70.74 -25.52 62.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' CZ2' ' A' ' 60' ' ' TRP . 1.8 t0 -64.49 -38.65 91.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -98.61 173.44 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.451 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' N ' ' OG1' ' A' ' 51' ' ' THR . 4.7 pm0 -80.64 -27.89 37.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -103.48 135.49 44.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.19 51.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -146.56 -57.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -106.14 136.75 45.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 60' ' ' TRP . 11.7 p -95.47 156.77 3.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 p -163.46 -46.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.25 -51.32 2.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.536 ' CZ2' ' OD1' ' A' ' 50' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 8.9 mtp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.465 0.174 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 70.02 54.98 9.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.55 154.12 27.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . 0.417 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.15 108.12 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.453 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 34.7 p -147.9 163.05 37.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.617 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.3 m-85 -137.02 146.54 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.9 m -122.86 108.34 12.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' B' ' 242' ' ' LEU . 37.6 t -103.16 111.88 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -97.42 144.21 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . 0.482 ' HB ' ' CD2' ' B' ' 242' ' ' LEU . 2.3 t -139.64 114.08 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' THR . . . . . . . . . . . . . 51.0 m -128.14 136.58 51.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.9 m-20 -97.02 118.1 32.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 -10.86 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.437 ' OG ' ' ND2' ' B' ' 215' ' ' ASN . 0.9 OUTLIER -79.58 -38.12 34.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.962 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . 0.437 ' ND2' ' OG ' ' B' ' 214' ' ' SER . 0.8 OUTLIER -112.45 -10.33 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.93 15.38 76.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.414 ' CG1' HG11 ' B' ' 246' ' ' VAL . 51.8 t -82.43 125.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.4 146.32 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 73.1 t -153.26 130.79 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.98 145.79 47.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.375 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -141.28 128.48 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -101.28 115.13 29.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 223' ' ' THR . . . . . 0.405 ' O ' ' N ' ' B' ' 206' ' ' TYR . 6.1 t -137.1 150.32 47.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.16 94.69 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 23.9 p -133.94 108.89 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -84.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.537 1.809 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -75.54 -28.86 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.502 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.57 -35.77 54.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.581 HD11 ' CE2' ' B' ' 206' ' ' TYR . 15.2 mt -52.0 -34.76 44.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 30.7 mt -79.67 -26.7 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.0 t -64.48 134.57 96.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.491 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -74.99 -42.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.16 -35.47 75.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.47 ' CG2' HG22 ' B' ' 228' ' ' THR . 96.9 t -81.88 -46.7 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.493 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -63.76 -44.06 94.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.512 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.64 -48.0 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.5 OUTLIER -65.74 -34.39 78.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.3 t -67.69 -48.71 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 29.7 mm -65.36 -46.09 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -66.88 -41.03 87.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.6 t70 -59.99 -45.06 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.482 ' CD2' ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -63.13 -48.53 78.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . 0.4 ' CG2' ' HB3' ' A' ' 29' ' ' LEU . 2.1 t -64.32 -43.49 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.426 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.33 -37.25 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 32.4 m -73.81 -42.44 60.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' B' ' 242' ' ' LEU . 21.6 t -60.99 -40.58 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -73.27 -29.87 63.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.8 p -53.05 -47.23 68.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.175 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -26.66 62.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -69.1 -31.29 69.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 33.2 p -104.3 161.19 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -24.0 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -111.89 134.6 53.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -110.59 145.06 38.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.62 108.55 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.61 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -116.16 134.07 55.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.8 p -102.46 155.95 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 62.04 161.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' B' ' 260' ' ' TRP . . . 76.33 107.19 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . 0.416 ' CD1' ' O ' ' B' ' 259' ' ' GLY . 1.7 m95 . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.43 0.157 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.51 76.07 0.27 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.589 1.18 . . . . 0.0 111.049 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 3.7 mptt -105.73 167.36 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.236 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.22 93.81 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.413 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 69.9 p -142.77 155.61 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.619 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 3.9 m-85 -130.06 139.57 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.1 m -112.48 113.15 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 110.427 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 42' ' ' LEU . 51.4 t -106.23 120.62 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 25.9 m -113.07 124.57 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.484 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 2.7 t -121.4 120.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.6 m -129.19 145.33 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.602 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 1.5 m-20 -99.91 122.36 42.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.474 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -82.66 -14.99 53.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.28 -35.94 24.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -111.28 -10.43 14.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.31 23.14 69.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.469 ' CG1' HG11 ' A' ' 46' ' ' VAL . 11.1 t -89.97 120.12 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.83 143.27 33.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 110.006 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.4 t -153.94 124.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -139.96 128.47 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -92.94 113.92 26.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -136.19 126.59 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.45 96.44 10.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.545 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.6 p -132.9 116.13 14.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -27.42 61.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.057 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.49 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -50.75 -25.47 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.59 HD13 ' CE2' ' A' ' 6' ' ' TYR . 13.2 mt -58.99 -41.27 87.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.4 mt -78.65 -25.35 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 87.1 t -61.74 134.5 93.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.498 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.05 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.85 -36.18 76.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG1' ' HB ' ' A' ' 28' ' ' THR . 92.6 t -79.96 -44.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -64.94 -45.3 86.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.494 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -59.9 -48.9 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 12.5 tt0 -61.22 -34.5 75.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -51.61 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 25.4 mm -61.28 -42.5 93.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -71.68 -40.84 69.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.8 t70 -59.34 -44.92 92.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -63.6 -51.18 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.61 -47.37 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.78 -36.6 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 m -74.16 -38.65 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG11 ' CG1' ' A' ' 17' ' ' VAL . 5.9 t -61.05 -45.77 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -72.74 -30.43 64.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.113 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -55.04 -34.47 63.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -32.38 62.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.61 -47.13 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.5 p -76.37 148.69 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 75.2 -61.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 110.342 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 174.26 10.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.62 163.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 31.4 m80 51.35 99.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.578 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -111.14 134.29 52.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 m -64.53 117.24 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.5 t -69.88 88.46 0.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.74 -128.85 2.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 8.4 mtp . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.475 0.179 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -134.32 61.36 0.64 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.546 1.154 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -121.32 155.17 35.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 0.825 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.01 108.05 19.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 15.9 p -147.38 166.29 27.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.602 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -137.22 143.65 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 7.9 m -112.74 108.25 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' B' ' 242' ' ' LEU . 34.1 t -108.73 113.9 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.471 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -104.42 147.2 27.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.1 t -140.36 114.34 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.44 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 54.8 m -127.44 135.53 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.619 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.6 m-20 -96.54 118.44 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . 0.413 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -76.89 -14.25 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -82.6 -35.25 27.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -109.91 -5.98 15.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 60.72 18.14 51.71 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.01 127.26 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.235 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.44 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -112.38 146.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 61.8 t -153.16 132.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.471 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -120.72 144.94 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -140.36 128.33 22.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -99.68 115.11 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -137.34 151.4 48.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -109.04 94.85 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.272 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 23.9 p -133.97 108.59 11.68 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -83.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.8 mtm -75.69 -29.48 59.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.51 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.28 -35.63 50.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.445 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 16.9 mt -51.79 -32.9 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.1 mt -82.25 -24.77 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.51 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 96.3 t -66.36 134.37 94.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.489 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.97 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.37 -35.6 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' B' ' 228' ' ' THR . 54.3 t -82.05 -46.13 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.91 -43.63 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.503 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -57.02 -47.75 80.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.2 OUTLIER -66.87 -34.91 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.419 HG13 ' CD1' ' B' ' 242' ' ' LEU . 1.8 t -66.1 -49.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.485 HD12 ' CD1' ' A' ' 39' ' ' ILE . 23.4 mm -63.53 -50.82 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.25 -43.86 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.23 -45.04 88.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.468 HD12 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -63.3 -50.36 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.4 t -62.27 -45.79 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.58 -36.23 66.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 22.3 m -74.88 -41.84 59.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' B' ' 242' ' ' LEU . 30.6 t -61.46 -40.5 86.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -73.52 -30.03 62.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 7.7 t -54.31 -41.7 69.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.95 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.53 -27.56 64.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.83 -59.43 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 251' ' ' THR . . . . . 0.481 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.9 OUTLIER -79.58 176.32 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 110.377 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . 0.481 ' N ' ' OG1' ' B' ' 251' ' ' THR . 42.7 mm-40 -92.19 26.83 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.65 172.42 6.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -142.26 168.31 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.95 170.85 17.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -120.99 150.38 41.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.6 p -103.72 157.16 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 69.41 154.98 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' B' ' 260' ' ' TRP . . . 110.13 -162.25 12.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . 0.492 ' CG ' ' O ' ' B' ' 259' ' ' GLY . 65.5 p-90 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ttp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.547 0.213 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.28 -52.61 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' B' ' 214' ' ' SER . 16.4 mmtt -101.15 168.85 9.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.601 0.824 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.36 93.85 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p -137.29 164.8 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 29' ' ' LEU . 2.0 m-85 -137.96 142.35 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -114.71 109.5 18.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 42' ' ' LEU . 29.2 t -105.29 119.62 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 60.7 m -116.61 124.02 48.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.182 . . . . 0.0 110.383 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 t -117.43 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 81.1 m -131.81 139.67 48.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.7 p30 -100.6 99.56 10.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -58.12 -15.49 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -34.61 58.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.74 -4.69 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.09 11.04 36.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 11' ' ' THR . 78.4 t -88.87 144.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.46 ' CA ' HG22 ' A' ' 11' ' ' THR . 41.1 t -120.16 159.76 24.23 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 4.2 t -153.69 124.35 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -116.09 139.57 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.409 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 5.3 m-85 -139.97 126.74 20.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -92.78 113.32 25.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.607 1.192 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.6 t -137.97 119.56 15.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.84 95.62 10.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 5.7 p -133.6 115.28 13.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.08 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -90.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -28.42 60.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.492 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -53.01 -30.71 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 6' ' ' TYR . 13.2 mt -52.47 -29.43 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.221 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -82.37 -30.15 30.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 99.2 t -56.26 134.67 75.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.472 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.98 -42.27 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.65 -36.77 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 28' ' ' THR . 37.2 t -81.47 -45.82 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.18 -48.27 79.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' B' ' 232' ' ' PRO . . . -56.5 -48.81 76.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 13.7 tt0 -62.88 -35.2 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.63 -45.9 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 43.4 mm -67.93 -45.08 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.77 -45.04 76.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.6 t70 -59.37 -44.21 92.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -66.26 -51.39 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' B' ' 229' ' ' LEU . 1.3 t -58.8 -44.39 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -36.71 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.4 m -74.03 -42.67 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.431 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 46.1 t -60.86 -40.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -73.79 -30.95 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m -54.9 -31.51 60.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.01 -23.4 59.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.08 -32.97 74.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.485 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 1.2 t -100.77 176.89 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' N ' ' OG1' ' A' ' 51' ' ' THR . 5.7 mt-10 -61.08 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -64.83 143.59 57.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -104.53 92.9 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -167.94 -74.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.6 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -121.25 158.49 27.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.47 149.5 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.3 t -133.52 -62.39 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 108.34 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.28 -104.98 2.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 3.5 mtp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.469 0.176 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -135.81 61.83 0.61 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -115.9 154.87 28.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.39 107.89 19.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.5 p -148.01 160.7 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.558 ' CE2' HD13 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -135.73 146.8 48.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 96.7 m -125.56 108.3 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . . . . . . . . . 25.0 t -103.77 114.76 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -97.3 148.28 23.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . 0.453 HG11 ' CG2' ' B' ' 246' ' ' VAL . 2.7 t -139.79 114.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.459 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 53.1 m -129.66 125.8 36.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 30.8 p30 -96.44 98.31 10.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.01 -16.78 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.3 p -72.6 -36.26 68.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . 0.417 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.9 t30 -111.46 -3.74 15.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.09 14.62 47.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.49 ' N ' ' OD1' ' B' ' 212' ' ' ASN . 67.9 t -90.13 132.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.459 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -116.23 148.21 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' B' ' 246' ' ' VAL . 18.9 t -152.73 125.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.51 145.57 40.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . 0.408 ' OH ' ' OG1' ' B' ' 245' ' ' THR . 4.6 m-85 -139.94 127.57 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -102.81 114.64 29.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.7 t -137.61 149.23 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.09 94.38 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 23.9 p -133.39 110.9 12.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.5 mtm -74.72 -29.47 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.481 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.51 -35.65 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' B' ' 206' ' ' TYR . 15.8 mt -51.87 -32.98 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 18.6 mt -82.31 -23.24 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 94.5 t -67.16 134.85 93.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.487 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.94 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.72 -34.83 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . . . . . . . . . 95.8 t -82.62 -46.06 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.1 -46.96 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.521 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -53.88 -46.6 71.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -68.47 -35.06 77.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.16 -39.64 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.442 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 41.9 mm -74.92 -45.01 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -68.2 -40.34 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t70 -60.83 -45.27 95.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.439 ' CD2' ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -64.62 -48.56 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.7 t -62.61 -44.84 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.07 -36.52 68.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 245' ' ' THR . . . . . 0.408 ' OG1' ' OH ' ' B' ' 221' ' ' TYR . 22.5 m -73.44 -41.67 62.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.468 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' B' ' 219' ' ' VAL . 2.5 t -61.28 -44.36 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -73.47 -26.42 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 22.7 t -54.31 -40.71 68.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -22.43 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -62.29 -47.46 84.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 251' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -105.96 171.5 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 110.422 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . 0.458 ' N ' ' OG1' ' B' ' 251' ' ' THR . 1.0 OUTLIER -95.66 53.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' B' ' 254' ' ' GLU . 7.5 t-20 -108.16 141.35 40.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' B' ' 255' ' ' HIS . 9.6 pt-20 37.98 -157.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . 0.417 ' N ' ' HG3' ' B' ' 254' ' ' GLU . 18.9 t-160 -173.53 -65.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.64 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -115.93 155.96 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 3.1 m -65.12 156.88 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 49.1 t -120.57 -64.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 108.244 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -132.02 -76.0 0.12 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.476 ' N ' ' HZ3' ' A' ' 3' ' ' LYS . 2.0 mtp . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.506 0.193 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.29 78.52 0.37 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -103.2 168.48 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 0.738 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.58 93.68 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.7 p -140.47 157.79 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.346 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CE2' HD13 ' A' ' 29' ' ' LEU . 3.2 m-85 -131.33 139.66 49.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.56 108.32 17.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG1' HD12 ' A' ' 42' ' ' LEU . 71.4 t -103.39 125.37 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.45 ' CG2' ' OD2' ' A' ' 20' ' ' ASP . 85.9 m -120.04 123.68 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 7.0 t -121.35 119.1 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.466 HG23 ' CA ' ' A' ' 18' ' ' SER . 41.4 m -124.77 144.62 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.589 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 0.3 OUTLIER -100.55 112.3 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.476 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.74 -14.01 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.78 -36.37 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -111.31 -1.32 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 57.46 19.08 32.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 20.5 t -90.38 130.59 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.466 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -112.04 146.14 38.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.414 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.3 t -153.36 124.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD2' ' CG2' ' A' ' 9' ' ' THR . 0.0 OUTLIER -122.68 146.52 47.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.51 128.73 23.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.33 113.68 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 t -136.52 119.76 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.03 96.48 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' A' ' 28' ' ' THR . 7.1 p -133.19 115.0 13.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 -91.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -27.59 59.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.494 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -53.13 -31.22 41.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.375 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.542 HD13 ' CE2' ' A' ' 6' ' ' TYR . 14.1 mt -51.24 -30.86 18.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.077 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.87 -28.73 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 84.9 t -58.94 134.21 87.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.5 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.04 -34.87 70.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' CG2' HG23 ' A' ' 28' ' ' THR . 24.2 t -81.95 -45.45 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.39 -48.12 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' B' ' 232' ' ' PRO . . . -56.6 -48.57 77.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 18.8 mt-10 -62.27 -34.7 77.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.91 -46.27 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 25.8 mm -67.55 -42.69 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.87 -40.97 71.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.5 t0 -57.92 -45.27 86.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.497 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -60.54 -51.89 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.7 t -62.2 -46.87 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -55.8 -36.54 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -40.84 66.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.414 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 11.2 t -60.97 -45.82 97.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mtt85 -72.74 -27.48 62.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -53.33 -39.18 63.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.78 -33.16 74.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.24 70.2 9.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -126.17 174.57 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.385 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' N ' ' OG1' ' A' ' 51' ' ' THR . 1.8 mt-10 -45.09 -52.86 8.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.235 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.53 175.54 8.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.51 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 5.1 pm0 -52.36 -30.94 31.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.51 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 2.3 p80 161.43 67.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -120.72 152.46 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -73.18 143.48 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.32 56.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.37 83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 66.0 mtp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.541 0.21 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 48.54 67.57 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.33 153.6 34.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.73 108.08 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.476 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.0 p -148.52 161.87 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.589 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 5.4 m-85 -137.46 141.29 41.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.5 m -114.38 108.73 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . . . . . . . . . 38.5 t -105.43 112.53 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' B' ' 220' ' ' ASP . 1.3 m -99.38 148.79 23.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.473 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . 0.472 ' HB ' ' CD2' ' B' ' 242' ' ' LEU . 3.1 t -140.79 115.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' THR . . . . . . . . . . . . . 57.2 m -129.12 130.52 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.447 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 25.5 p30 -96.73 100.64 12.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.595 1.185 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.46 -14.77 13.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -75.35 -35.98 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . 0.431 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.5 t30 -111.49 -3.33 15.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.71 14.31 43.12 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.489 ' N ' ' OD1' ' B' ' 212' ' ' ASN . 55.4 t -89.9 129.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.45 149.93 31.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.048 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.479 ' HB ' ' CG2' ' B' ' 246' ' ' VAL . 53.9 t -151.8 128.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' B' ' 209' ' ' THR . 0.0 OUTLIER -116.38 145.1 43.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -140.55 127.73 20.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -101.19 113.86 27.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.5 t -138.49 146.27 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.77 94.43 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 18.1 p -133.58 108.71 12.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.2 mmt -74.8 -28.88 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.483 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.81 -34.82 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' B' ' 225' ' ' THR . 15.2 mt -51.64 -32.94 31.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 23.5 mt -81.62 -26.12 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 94.7 t -64.14 133.95 95.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.02 -42.73 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.29 -34.92 74.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.19 -45.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.516 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -54.86 -48.79 72.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.1 tt0 -67.18 -35.11 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.7 t -67.46 -42.37 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.414 HD11 ' CD1' ' A' ' 39' ' ' ILE . 4.6 mm -72.32 -47.84 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.31 -42.48 96.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t0 -60.43 -44.68 95.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -63.17 -46.92 84.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.9 t -66.09 -45.7 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.03 -36.37 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 245' ' ' THR . . . . . 0.405 HG22 ' CG1' ' B' ' 219' ' ' VAL . 2.3 m -74.46 -40.72 61.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.479 ' CG2' ' HB ' ' B' ' 219' ' ' VAL . 66.3 t -61.33 -42.76 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -73.27 -29.52 62.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 5.1 p -53.61 -35.88 61.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.88 -29.95 69.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -75.83 -31.56 59.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 21.0 p -94.28 161.66 14.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.08 -57.58 11.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.0 133.86 50.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 161.34 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 5.2 t60 63.53 149.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.549 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -119.26 158.25 26.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 5.7 p -78.19 127.29 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 25.5 p -167.4 169.29 12.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 108.272 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 54.65 -156.58 7.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mtp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.504 0.192 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 134.67 76.85 0.09 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -103.22 168.83 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 24' ' ' GLU . . . -106.87 93.93 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.8 p -140.22 158.27 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 5.6 m-85 -137.8 140.06 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.2 m -119.24 114.45 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 42' ' ' LEU . 37.1 t -99.22 121.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -107.48 126.39 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' B' ' 208' ' ' VAL . 4.1 t -125.64 120.12 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 83.8 m -126.62 140.25 52.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' GLY . 18.7 p30 -100.39 99.2 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.644 1.215 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.65 -16.03 9.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -34.84 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.31 -5.12 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.238 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.32 12.87 47.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 11' ' ' THR . 71.5 t -90.63 144.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.458 ' CA ' HG22 ' A' ' 11' ' ' THR . 46.7 t -119.55 157.75 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -154.85 124.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 1.8 t0 -115.79 145.19 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -139.84 127.31 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.24 111.87 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 t -137.33 131.48 32.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 4' ' ' ALA . 28.1 tt0 -89.29 94.95 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.5 p -134.57 113.23 11.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.45 1.763 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.74 -27.6 61.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 ' CG2' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.94 -24.96 7.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 25' ' ' THR . 17.5 mt -60.16 -38.72 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 mt -79.84 -23.77 41.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 78.3 t -63.52 136.63 96.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.07 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.91 -35.88 73.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG23 ' CG2' ' A' ' 28' ' ' THR . 23.4 t -82.06 -44.59 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -59.59 -49.68 76.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 10.3 mm-40 -62.03 -34.54 76.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 HG11 ' CD1' ' A' ' 42' ' ' LEU . 1.2 t -69.21 -48.02 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 15.3 mm -65.99 -45.27 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.52 -44.42 78.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t70 -58.53 -44.34 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 HD11 ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -66.3 -50.95 61.91 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.494 HG22 ' CD1' ' B' ' 229' ' ' LEU . 1.4 t -59.24 -45.66 92.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -37.31 67.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 65.7 m -73.83 -41.15 62.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.84 -42.63 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -73.26 -29.81 63.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -53.47 -36.73 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -22.92 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.24 -33.35 19.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.7 p -97.91 167.49 10.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 53' ' ' ASN . 2.3 pt-20 -64.61 -32.92 74.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 5.9 p-10 -72.82 133.93 44.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.55 -0.9 10.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.49 -80.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.585 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -74.91 137.63 41.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 m -64.43 142.85 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.0 t -135.32 -56.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 108.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.18 163.56 31.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.6 m0 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.467 0.175 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -97.23 63.02 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -117.43 154.49 31.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 109.336 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . 0.423 ' C ' HG21 ' B' ' 205' ' ' THR . . . -101.92 107.59 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.454 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.4 p -147.4 160.37 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.569 ' CD2' HD13 ' B' ' 229' ' ' LEU . 6.2 m-85 -137.73 141.89 41.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 98.8 m -118.32 109.15 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' B' ' 242' ' ' LEU . 50.7 t -100.46 122.26 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 1.9 m -109.54 148.3 31.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 110.381 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.3 t -139.65 114.81 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 51.9 m -125.54 132.04 52.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -97.59 104.41 16.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . 0.42 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -63.09 -12.53 27.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -80.97 -35.18 32.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.078 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -110.96 -0.72 16.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 58.2 15.08 21.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.422 HG13 ' N ' ' B' ' 218' ' ' SER . 79.1 t -90.25 145.33 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.422 ' N ' HG13 ' B' ' 217' ' ' VAL . 44.0 t -126.39 155.54 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 38.9 t -154.17 124.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.53 143.39 44.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . 0.404 ' OH ' ' OG1' ' B' ' 245' ' ' THR . 2.3 m-85 -140.07 127.78 21.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.593 1.183 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.18 113.65 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.8 t -138.32 145.84 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.95 93.95 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.425 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 2.2 p -135.03 110.29 10.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -83.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -29.59 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.49 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.66 -36.15 45.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' B' ' 206' ' ' TYR . 17.5 mt -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.63 -24.83 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 71.8 t -66.82 134.0 94.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.489 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.0 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.519 1.8 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.68 -34.29 72.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . . . . . . . . . 68.1 t -82.81 -46.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.43 -42.91 91.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.518 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.53 -47.73 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 40.8 mt-10 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.8 t -66.31 -51.96 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 39' ' ' ILE . 20.4 mm -60.4 -51.23 75.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -62.61 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.4 t0 -57.26 -45.38 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.487 HD11 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -62.18 -50.61 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.0 t -62.43 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.405 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.31 -36.72 69.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 245' ' ' THR . . . . . 0.404 ' OG1' ' OH ' ' B' ' 221' ' ' TYR . 31.6 m -71.46 -43.84 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' B' ' 242' ' ' LEU . 12.8 t -60.48 -43.65 94.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -72.94 -26.58 61.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.63 -31.28 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.86 -27.84 62.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -104.27 65.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 43.2 p -126.11 174.22 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -82.02 -39.38 23.63 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.9 173.37 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -60.6 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.368 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 73.2 -61.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -101.87 151.54 21.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . 0.596 ' CG2' ' CD1' ' B' ' 260' ' ' TRP . 7.5 p -100.2 133.4 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.35 87.03 2.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 108.38 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 55.39 104.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . 0.596 ' CD1' ' CG2' ' B' ' 257' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.475 0.179 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.0 71.24 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.573 1.171 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -106.69 169.34 8.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.419 0.717 . . . . 0.0 109.333 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.54 4.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.1 p -143.65 161.08 39.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.468 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.599 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 7.0 m-85 -135.93 138.82 42.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.9 m -111.88 109.69 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.477 ' CG1' HD13 ' A' ' 42' ' ' LEU . 73.4 t -102.23 128.13 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 16.8 m -120.45 123.49 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.498 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 3.4 t -120.89 120.21 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.48 HG21 ' CA ' ' A' ' 18' ' ' SER . 54.5 m -128.1 144.11 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.693 ' ND2' ' HH ' ' B' ' 206' ' ' TYR . 0.9 OUTLIER -99.24 122.06 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.4 m-80 -82.16 -15.93 51.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -82.79 -35.57 26.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -110.78 -10.98 14.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.44 22.55 69.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG11 ' CG1' ' A' ' 46' ' ' VAL . 14.7 t -90.44 122.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.48 ' CA ' HG21 ' A' ' 11' ' ' THR . 0.1 OUTLIER -108.8 141.41 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.499 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.2 t -152.54 124.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.92 145.77 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -140.1 128.15 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -89.2 113.19 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -137.56 122.88 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.39 96.8 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.508 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 29.9 p -132.97 111.83 13.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -85.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mtm -73.19 -29.41 62.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.85 -35.44 44.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.578 HD11 ' CE2' ' A' ' 6' ' ' TYR . 15.4 mt -51.85 -32.88 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.183 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.406 HD22 ' CG1' ' B' ' 243' ' ' VAL . 18.3 mt -84.26 -24.01 30.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 88.3 t -66.36 135.86 94.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.489 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.98 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.31 -35.17 73.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 28' ' ' THR . 78.3 t -82.56 -45.07 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.518 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -62.92 -47.64 82.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' CB ' ' HA ' ' B' ' 232' ' ' PRO . . . -58.22 -48.22 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.608 1.192 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -61.52 -34.87 76.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.73 -49.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 22.9 mm -63.44 -45.06 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -69.07 -40.5 78.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.6 t70 -57.87 -45.18 86.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.4 -53.77 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 t -58.78 -47.53 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.58 -36.25 66.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.8 m -73.55 -40.39 64.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.499 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 5.9 t -60.83 -44.29 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -73.55 -31.2 63.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 m -53.92 -32.17 52.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -30.17 64.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -88.76 -57.86 2.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.55 171.3 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER 54.01 101.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 53' ' ' ASN . 3.4 t-20 -76.41 134.31 39.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.44 -15.51 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.9 -74.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.653 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -94.19 148.61 22.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -94.92 148.48 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.6 t -126.24 -59.73 1.3 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 108.318 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.52 -108.99 3.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 60' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.525 0.202 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 60.73 59.21 10.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -122.54 155.38 36.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . 0.407 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -101.85 107.58 18.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.4 p -147.75 162.23 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.693 ' HH ' ' ND2' ' A' ' 12' ' ' ASN . 3.9 m-85 -136.64 141.81 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.4 m -112.86 108.37 17.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.351 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.472 ' CG1' HD13 ' B' ' 242' ' ' LEU . 46.8 t -105.95 115.86 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.474 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.4 m -104.62 146.46 28.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . 0.461 ' HB ' ' CD2' ' B' ' 242' ' ' LEU . 2.1 t -139.86 114.1 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' THR . . . . . . . . . . . . . 7.9 m -123.5 135.08 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.2 m-20 -96.15 117.83 31.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . 0.494 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -77.53 -14.64 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 1.5 t -82.15 -35.83 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -110.34 -5.29 15.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.39 1.056 . . . . 0.0 109.24 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.66 20.06 50.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.484 ' CG1' HG12 ' B' ' 246' ' ' VAL . 53.0 t -90.76 130.16 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 218' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.73 147.18 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 38.5 t -153.16 128.83 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.474 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -119.38 145.33 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.22 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -140.96 127.51 20.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -101.68 114.51 28.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.6 t -138.21 151.11 47.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.466 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . 0.417 ' OE1' ' O ' ' B' ' 224' ' ' GLU . 0.0 OUTLIER -106.6 94.34 5.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 24.9 p -133.77 108.43 11.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.45 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -83.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -74.78 -28.66 60.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.478 HG22 ' CG2' ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.14 -37.68 55.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.472 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' B' ' 225' ' ' THR . 18.9 mt -52.53 -36.66 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 26.0 mt -78.83 -23.99 44.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.2 t -69.1 135.75 89.36 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -75.0 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.99 -34.67 73.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.478 ' CG2' HG22 ' B' ' 228' ' ' THR . 48.5 t -82.4 -46.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.56 -45.34 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.518 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -54.56 -47.74 72.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 47.0 mt-10 -66.95 -35.19 79.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.04 -50.11 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 20.9 mm -63.47 -51.24 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 1.8 tmtt? -61.57 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.0 t70 -58.82 -45.3 90.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.473 ' O ' ' CG2' ' B' ' 246' ' ' VAL . 0.3 OUTLIER -62.31 -51.84 66.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 29' ' ' LEU . 1.6 t -61.49 -44.68 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.68 -36.57 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 22.2 m -74.27 -42.67 59.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.484 HG12 ' CG1' ' B' ' 217' ' ' VAL . 10.5 t -60.55 -39.83 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -33.59 65.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 47.1 t -53.72 -41.34 66.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -29.77 62.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -66.94 -40.92 87.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 251' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.1 OUTLIER -91.84 172.99 8.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . 0.446 ' N ' ' OG1' ' B' ' 251' ' ' THR . 0.5 OUTLIER -91.7 18.48 7.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -101.09 166.25 10.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -138.0 148.67 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -175.65 133.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.534 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -118.04 157.55 26.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 7.9 p -99.7 117.92 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.6 69.13 0.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 168.02 -64.93 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.45 0.167 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.95 80.14 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -104.03 169.23 8.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 0.799 . . . . 0.0 109.319 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.85 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.463 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 73.1 p -142.04 157.84 44.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.614 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 6.3 m-85 -132.22 138.25 47.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -111.74 115.98 29.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 42' ' ' LEU . 75.7 t -108.81 133.01 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 95.8 m -127.22 132.78 50.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 2.5 t -125.82 123.77 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 73.0 m -126.23 140.3 52.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.601 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.88 99.51 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -58.67 -15.53 12.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -71.38 -35.96 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 3.3 t30 -112.3 -10.57 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 72.0 11.19 74.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 11' ' ' THR . 73.6 t -88.28 145.3 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.449 ' CA ' HG21 ' A' ' 11' ' ' THR . 42.0 t -120.79 160.04 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.5 t -153.96 124.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.33 140.28 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -141.03 128.45 21.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -87.13 112.96 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -137.64 117.33 13.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.7 pt-20 -89.39 96.58 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.1 p -131.73 116.3 15.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 0.0 110.39 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -88.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mmm -74.08 -28.98 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.1 -28.61 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.328 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 6' ' ' TYR . 20.5 mt -57.86 -35.55 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.9 -23.41 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 69.5 t -64.37 134.81 96.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.506 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.87 -43.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.75 -37.15 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.626 1.203 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.451 ' CG2' HG21 ' A' ' 28' ' ' THR . 84.4 t -81.19 -44.92 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -62.35 -46.52 88.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' CB ' ' HB3' ' B' ' 232' ' ' PRO . . . -59.61 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 5.4 mt-10 -62.41 -34.27 76.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 39' ' ' ILE . 0.9 OUTLIER -70.1 -52.18 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 33.5 mm -59.93 -43.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.82 -43.02 69.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.7 t70 -57.7 -44.66 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 HD11 ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -62.79 -51.0 68.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.3 t -62.01 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.18 -35.62 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.8 m -73.2 -43.28 61.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 11.4 t -60.25 -42.14 89.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -72.68 -30.17 64.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -34.42 61.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.88 -28.84 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.175 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.96 85.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -118.35 171.51 8.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.371 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' A' ' 51' ' ' THR . 1.6 mt-10 -55.63 -64.46 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -111.85 154.25 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.52 72.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -161.42 -70.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -116.31 141.06 48.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 m -63.91 125.87 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.8 p -156.61 137.01 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 108.251 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.19 135.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.394 1.059 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 57.5 mtp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.497 0.189 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.18 55.97 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -117.79 155.76 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.78 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -147.59 160.58 42.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.066 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.522 ' CD2' HD12 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -137.34 146.49 44.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.8 m -123.24 107.8 12.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' B' ' 242' ' ' LEU . 31.5 t -101.56 117.44 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -102.75 144.55 30.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' B' ' 246' ' ' VAL . 2.5 t -140.68 114.73 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.429 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 52.7 m -128.32 138.13 52.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.614 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.5 m-20 -96.94 121.92 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -79.42 -15.9 57.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -83.02 -34.99 26.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -109.16 -8.45 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.23 16.2 53.1 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.413 ' CG1' HG11 ' B' ' 246' ' ' VAL . 53.1 t -86.95 125.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.429 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.25 145.43 38.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.424 ' HB ' ' CG2' ' B' ' 246' ' ' VAL . 4.6 t -152.88 126.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.48 146.24 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . 0.412 ' CE2' HG22 ' B' ' 245' ' ' THR . 1.6 m-85 -140.98 128.28 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -100.14 115.61 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.4 t -137.71 148.71 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.34 94.84 5.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.503 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 30.2 p -134.5 111.71 11.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -87.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.5 mmt -74.13 -28.5 61.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.496 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.18 -32.59 36.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.402 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.522 HD12 ' CD2' ' B' ' 206' ' ' TYR . 18.7 mt -55.65 -35.92 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.6 -25.1 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.496 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 89.0 t -65.07 134.33 95.97 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.06 -40.55 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.96 -36.07 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.482 HG21 ' CG2' ' B' ' 228' ' ' THR . 39.2 t -82.22 -45.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.87 -45.75 84.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' B' ' 232' ' ' PRO . . . -55.23 -48.16 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.4 OUTLIER -66.71 -35.16 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.419 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 1.0 OUTLIER -66.54 -50.99 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.48 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 37.7 mm -61.79 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.38 -43.75 98.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.4 t70 -57.7 -45.23 85.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' B' ' 246' ' ' VAL . 0.3 OUTLIER -61.96 -52.34 64.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . 0.404 ' CG2' HD12 ' A' ' 29' ' ' LEU . 1.4 t -61.21 -44.4 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -38.74 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 245' ' ' THR . . . . . 0.412 HG22 ' CE2' ' B' ' 221' ' ' TYR . 53.9 m -74.41 -38.01 63.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' B' ' 242' ' ' LEU . 33.9 t -61.47 -45.29 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -73.62 -27.44 61.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 248' ' ' SER . . . . . 0.404 ' O ' ' O ' ' B' ' 251' ' ' THR . 45.0 t -55.0 -38.18 67.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.95 -23.1 59.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.41 -40.96 83.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 251' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 1.1 t -126.01 178.08 5.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . 0.495 ' N ' ' OG1' ' B' ' 251' ' ' THR . 2.1 pt-20 -93.8 50.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' B' ' 254' ' ' GLU . 8.1 t-20 -100.96 140.79 34.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 255' ' ' HIS . 8.9 pt-20 38.84 -159.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . 0.422 ' N ' ' HG3' ' B' ' 254' ' ' GLU . 1.2 t-160 -141.49 167.56 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.636 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -90.24 142.8 27.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' B' ' 259' ' ' GLY . 9.0 p -98.66 125.94 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 29.7 t -67.49 78.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' B' ' 257' ' ' VAL . . . 37.74 86.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.163 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . 0.406 ' CB ' ' O ' ' B' ' 259' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtt . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.524 0.202 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.33 76.81 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 4.4 mptt -101.8 167.51 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.86 93.71 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 53.2 p -137.63 155.99 48.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' B' ' 212' ' ' ASN . 13.8 m-85 -135.15 139.16 44.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.395 1.059 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.483 ' CG2' ' OD1' ' A' ' 20' ' ' ASP . 54.3 m -115.96 117.02 28.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG1' HD13 ' A' ' 42' ' ' LEU . 58.7 t -101.5 128.64 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 2.0 m -119.57 123.76 44.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 t -121.69 118.64 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 80.1 m -122.17 140.88 52.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 15.1 p30 -100.58 99.16 9.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.56 -15.33 6.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -76.4 -35.03 58.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.19 -3.93 15.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.9 12.09 34.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.507 ' O ' ' CG2' ' A' ' 11' ' ' THR . 75.7 t -89.57 143.99 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.461 ' CA ' HG22 ' A' ' 11' ' ' THR . 48.0 t -120.05 157.91 27.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG1' HG22 ' A' ' 45' ' ' THR . 37.1 t -154.38 128.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.483 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 1.2 t0 -120.11 145.41 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -140.23 126.97 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -90.02 112.24 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -138.36 121.86 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.83 95.38 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.362 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.418 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 4.2 p -133.65 115.44 13.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.45 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -88.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -29.1 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.5 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -50.84 -22.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.416 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.51 HD12 ' CD2' ' A' ' 6' ' ' TYR . 19.6 mt -61.49 -33.66 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.8 mt -82.68 -25.73 32.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.5 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 73.5 t -59.6 133.34 88.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.0 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.94 -38.0 78.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.497 ' CG2' HG12 ' A' ' 31' ' ' VAL . 84.3 t -79.84 -43.59 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.6 -44.9 92.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.492 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -59.99 -49.41 77.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -63.24 -34.82 78.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.498 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 1.3 t -68.8 -46.75 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 29.2 mm -67.38 -46.03 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -66.55 -43.78 84.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 12.6 t70 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -66.13 -50.29 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.414 HG21 ' CD1' ' B' ' 229' ' ' LEU . 2.0 t -59.31 -45.36 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.414 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 1.2 m-80 -55.76 -37.45 68.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.454 HG22 ' CG1' ' A' ' 19' ' ' VAL . 12.7 m -72.73 -44.08 62.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.54 -41.73 88.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.345 1.028 . . . . 0.0 109.237 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -72.71 -29.88 63.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -44.71 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.936 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -69.72 -30.56 68.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -42.61 -58.79 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -85.74 174.47 9.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.472 ' N ' ' OG1' ' A' ' 51' ' ' THR . 15.7 pt-20 -89.49 -41.64 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -116.96 134.78 54.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 55' ' ' HIS . 1.3 pm0 -117.59 -37.31 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 14.9 m80 50.7 -101.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.378 1.049 . . . . 0.0 109.601 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -99.49 133.76 43.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.0 m -64.27 119.86 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.9 p -129.49 48.71 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 108.335 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 46.06 96.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.539 0.209 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 113.68 56.42 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -116.6 154.19 30.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 0.731 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.82 108.32 19.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.454 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 16.5 p -147.08 164.31 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.567 ' CD2' HD13 ' B' ' 229' ' ' LEU . 1.7 m-85 -137.83 146.61 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 71.4 m -124.83 108.32 11.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.496 ' CG1' HD12 ' B' ' 242' ' ' LEU . 73.1 t -98.12 124.28 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 1.4 m -108.1 148.86 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 1.6 t -138.98 113.13 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.414 HG21 ' O ' ' B' ' 217' ' ' VAL . 21.2 m -123.14 130.17 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.0 OUTLIER -98.19 99.26 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . 0.457 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -59.22 -14.06 9.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -79.85 -34.44 39.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.022 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -110.51 -4.47 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.83 12.29 34.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.455 ' HB ' ' ND2' ' B' ' 212' ' ' ASN . 71.9 t -90.03 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 218' ' ' SER . . . . . . . . . . . . . 47.6 t -124.41 156.2 37.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.483 ' HB ' ' CG2' ' B' ' 246' ' ' VAL . 15.3 t -154.61 125.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.192 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.44 143.16 45.71 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -139.93 128.55 23.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -102.83 114.68 29.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.0 t -138.25 142.14 39.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -97.63 95.1 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.493 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 14.4 p -134.87 110.15 10.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.445 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.0 mtm -75.12 -28.23 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.48 -38.03 51.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' B' ' 206' ' ' TYR . 27.7 mt -52.48 -36.99 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 28.7 mt -79.36 -24.01 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 62.9 t -68.63 136.1 90.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.488 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.03 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.04 -34.99 74.14 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.467 ' CG1' ' HB ' ' B' ' 228' ' ' THR . 93.7 t -82.43 -46.57 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.503 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.23 -48.09 77.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -66.47 -35.53 80.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.407 ' O ' HD13 ' B' ' 242' ' ' LEU . 1.4 t -66.33 -48.66 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 39' ' ' ILE . 25.8 mm -64.55 -50.57 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.8 t70 -58.18 -46.12 86.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.496 HD12 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -60.43 -49.92 75.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.8 -47.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.6 -36.92 67.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 1.6 m -74.32 -39.17 63.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.36 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.483 ' CG2' ' HB ' ' B' ' 219' ' ' VAL . 53.7 t -62.02 -43.81 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -26.9 61.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 17.8 t -53.37 -36.2 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.939 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.77 -33.25 66.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -70.83 -47.71 57.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 31.4 p -88.22 163.89 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.32 54.47 2.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -113.54 173.88 6.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.47 142.22 21.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' B' ' 255' ' ' HIS . 0.3 OUTLIER -170.45 146.19 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.598 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -111.62 158.03 19.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 4.3 m -64.41 154.04 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 26.0 m -147.42 132.32 18.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 108.294 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 94.47 -162.26 24.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.592 1.182 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.511 0.196 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.404 ' O ' ' HD2' ' A' ' 3' ' ' LYS . . . 108.2 71.55 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.52 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 1.4 mptt -106.12 169.48 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.291 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' GLU . . . -106.09 93.79 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.7 p -145.13 161.51 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.435 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.504 ' CZ ' ' HB2' ' B' ' 212' ' ' ASN . 1.4 m-85 -137.64 142.77 41.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -113.85 108.24 16.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.481 ' CG1' HD11 ' A' ' 42' ' ' LEU . 49.5 t -103.63 112.6 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 94.7 m -107.45 123.65 48.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.507 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 4.2 t -120.73 123.04 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.7 m -130.43 145.04 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.3 m-20 -99.3 122.37 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -80.32 -17.11 53.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -83.86 -35.79 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -110.91 -3.14 15.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.97 23.26 30.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.426 HG13 ' CG1' ' A' ' 46' ' ' VAL . 5.4 t -89.91 120.66 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.0 141.64 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.494 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.0 t -152.82 124.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.71 146.46 43.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 1.061 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -140.29 128.04 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.58 112.75 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -138.57 127.24 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 24' ' ' GLU . 4.1 tp10 -89.06 96.78 10.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.8 p -133.95 112.34 12.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -86.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -27.5 61.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.506 HG21 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.41 -30.62 30.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.493 ' O ' ' CG2' ' B' ' 239' ' ' ILE . 21.1 mt -57.65 -36.79 72.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.2 mt -78.11 -28.5 48.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 90.1 t -59.81 134.28 89.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.95 -40.69 85.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.506 ' CG2' HG21 ' A' ' 28' ' ' THR . 92.4 t -76.76 -44.12 33.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -61.8 -45.67 92.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 40' ' ' LYS . . . -59.53 -48.73 80.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.68 -34.64 76.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 t -69.87 -52.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 14.3 mm -60.73 -43.17 94.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.98 -41.24 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 4.9 t70 -57.1 -45.29 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.507 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -62.53 -53.1 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.24 -44.14 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.49 -37.72 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.2 m -71.41 -41.19 69.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.494 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 2.4 t -60.72 -45.83 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -73.06 -29.68 63.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -54.03 -37.86 64.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.01 -23.54 59.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.89 -62.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.465 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -75.54 174.22 9.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.35 1.031 . . . . 0.0 110.431 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' N ' ' OG1' ' A' ' 51' ' ' THR . 0.3 OUTLIER -67.76 -81.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.94 134.15 53.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -94.61 51.49 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.207 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.38 -59.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -104.45 140.72 37.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 p -84.38 153.81 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.71 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -37.69 -52.35 1.92 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 5.7 m95 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.6 mtp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.387 0.136 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -100.3 69.81 0.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.576 1.173 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.29 154.95 36.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.47 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 8.4 p -147.61 166.13 28.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.558 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 3.1 m-85 -137.18 142.16 42.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.0 m -113.23 107.28 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.461 HG23 ' CG2' ' A' ' 10' ' ' VAL . 53.4 t -111.25 114.47 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' B' ' 219' ' ' VAL . 30.1 m -108.49 155.67 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.7 t -139.8 115.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 67.8 m -116.17 128.07 55.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.455 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' B' ' 215' ' ' ASN . 5.0 t30 -96.27 107.5 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.47 -13.74 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.563 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 1.6 t -67.25 -41.3 85.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.078 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . 0.618 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 11.5 t30 -118.76 -4.8 10.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 73.07 20.27 79.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' B' ' 212' ' ' ASN . 2.1 t -82.32 146.04 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' B' ' 211' ' ' THR . 40.2 t -128.99 152.12 48.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.449 ' HB ' ' CG2' ' B' ' 246' ' ' VAL . 2.8 t -156.58 131.99 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.2 142.97 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -140.87 128.11 20.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.09 114.95 29.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 14.6 t -138.37 137.45 37.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.341 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' B' ' 224' ' ' GLU . 2.7 pt-20 -89.25 94.07 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.511 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 34.5 p -134.72 108.32 10.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.438 1.757 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.2 -28.72 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.488 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.25 -37.49 47.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' B' ' 206' ' ' TYR . 18.1 mt -52.11 -36.32 50.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 16.1 mt -81.03 -23.88 38.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 95.1 t -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.0 -43.34 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.58 -35.17 73.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.454 ' CG1' ' HB ' ' B' ' 228' ' ' THR . 75.4 t -82.31 -46.34 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.03 -43.49 92.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.519 ' CB ' ' HB3' ' A' ' 32' ' ' PRO . . . -55.93 -48.33 75.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 29.3 mt-10 -67.16 -35.81 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.5 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 1.9 t -66.36 -47.46 84.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.493 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 16.3 mm -65.27 -51.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.41 -42.2 99.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -58.37 -44.69 88.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -64.9 -52.31 57.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . 0.487 ' CG2' HD11 ' A' ' 29' ' ' LEU . 1.4 t -59.32 -43.41 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.47 -36.69 69.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 46.7 m -72.25 -44.77 62.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.449 ' CG2' ' HB ' ' B' ' 219' ' ' VAL . 2.9 t -61.13 -41.49 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -73.26 -26.89 61.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -44.0 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.92 -23.01 59.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -68.62 -31.48 70.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 18.7 p -103.69 140.26 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.464 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -48.46 -42.05 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -77.01 133.9 38.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.02 120.44 41.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -123.79 82.92 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.402 1.064 . . . . 0.0 109.657 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -110.95 149.01 31.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.81 156.09 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.17 -64.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -111.26 -142.8 9.11 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtm . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.444 0.164 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' A' ' 3' ' ' LYS . . . -170.4 88.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -104.36 170.1 8.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 0.725 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.45 93.51 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 66.6 p -144.75 164.88 29.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 2.4 m-85 -137.2 142.25 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m -115.81 113.7 23.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.339 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG1' HD12 ' A' ' 42' ' ' LEU . 54.2 t -105.92 126.06 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 7.2 m -119.86 124.35 45.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 12.2 t -123.26 124.32 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.484 HG23 ' CA ' ' A' ' 18' ' ' SER . 90.2 m -129.08 141.53 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.3 p30 -100.21 99.07 9.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.458 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -57.37 -16.69 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -34.9 60.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -110.71 -5.03 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.78 13.07 37.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.485 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 76.1 t -90.31 140.84 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.484 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.2 OUTLIER -116.67 151.64 35.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.931 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.476 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.8 t -152.32 124.15 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -122.66 144.96 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -140.09 127.76 21.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.31 113.89 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 t -136.56 126.74 26.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.03 95.98 10.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.3 p -134.16 114.21 12.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -89.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -27.49 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.502 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -52.19 -20.88 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 25' ' ' THR . 18.0 mt -63.05 -36.21 82.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mt -80.47 -23.78 39.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.502 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 79.2 t -61.85 134.74 94.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.498 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.01 -43.05 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.19 -42.3 90.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.3 t -74.35 -44.6 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -62.82 -47.59 82.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' CB ' ' HB3' ' B' ' 232' ' ' PRO . . . -58.5 -48.83 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 6.2 mt-10 -61.32 -34.11 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.1 t -70.35 -52.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 28.4 mm -59.56 -43.25 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.198 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -71.19 -40.9 70.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.9 t70 -59.81 -45.33 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.478 HD12 ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -62.08 -49.2 76.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' B' ' 229' ' ' LEU . 1.8 t -64.05 -46.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.13 -36.1 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.196 . . . . 0.0 109.306 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 98.5 m -72.2 -42.28 65.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' CG1' ' ND2' ' A' ' 12' ' ' ASN . 83.1 t -60.77 -45.86 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.41 -29.87 62.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -54.63 -32.84 59.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.48 -29.42 70.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.559 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 2.2 m-20 -149.65 107.0 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 p -109.63 175.07 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -47.89 -40.62 22.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.598 1.187 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.1 m-20 -83.76 173.87 10.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER 33.29 38.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 50' ' ' ASP . 2.9 t60 -174.97 -168.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.653 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -113.06 155.55 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 m -65.85 128.99 29.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -141.05 -52.16 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.517 ' C ' ' CG ' ' A' ' 60' ' ' TRP . . . -168.92 168.45 41.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.517 ' CG ' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.5 mtm . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.511 0.196 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 132.03 68.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.01 156.18 29.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.34 108.19 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.2 p -147.8 160.02 43.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.577 ' CD1' HD12 ' B' ' 229' ' ' LEU . 1.0 OUTLIER -134.22 145.74 49.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 111.05 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.0 m -121.19 108.68 14.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 10' ' ' VAL . 53.6 t -103.74 126.45 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.459 HG21 ' CB ' ' B' ' 220' ' ' ASP . 2.5 m -115.58 150.2 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 1.7 t -140.4 114.48 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.488 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 6.1 m -119.98 131.0 55.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.58 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -96.63 98.56 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . 0.499 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -59.64 -14.59 14.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -79.75 -34.93 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -110.72 -1.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.18 14.19 24.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 77.1 t -90.02 144.28 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.488 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 40.3 t -131.2 150.05 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.582 HG11 ' CE1' ' B' ' 221' ' ' TYR . 15.1 t -153.75 130.93 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.459 ' CB ' HG21 ' B' ' 209' ' ' THR . 0.0 OUTLIER -110.87 147.81 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . 0.698 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 7.1 m-85 -137.49 125.24 22.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -100.45 113.58 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -139.52 145.13 38.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.07 95.22 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 18.6 p -134.36 110.33 11.53 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -84.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.05 -29.18 60.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.504 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.23 -35.06 48.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.577 HD12 ' CD1' ' B' ' 206' ' ' TYR . 16.5 mt -52.33 -33.46 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 19.4 mt -83.46 -24.05 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.504 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 90.0 t -65.26 132.78 95.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.06 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -59.58 -37.05 77.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.472 ' CG2' HG11 ' B' ' 231' ' ' VAL . 45.6 t -81.69 -47.26 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -62.8 -45.2 93.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.515 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.28 -46.8 79.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.8 tt0 -67.53 -35.61 79.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.522 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 2.3 t -65.91 -54.44 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.462 ' CD1' HD12 ' A' ' 39' ' ' ILE . 19.9 mm -57.62 -51.05 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.469 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.04 -44.83 94.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.7 t70 -57.93 -44.08 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.698 ' CD2' ' CD1' ' B' ' 221' ' ' TYR . 0.4 OUTLIER -58.46 -50.01 75.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.14 -47.01 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 245' ' ' THR . . . . . 0.514 HG22 ' CE2' ' B' ' 221' ' ' TYR . 2.2 m -74.14 -42.22 60.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.427 ' CG2' ' CG2' ' B' ' 219' ' ' VAL . 75.8 t -60.9 -41.58 89.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -72.82 -29.97 63.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.2 p -53.54 -34.5 58.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -28.24 69.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.38 -41.84 55.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 8.0 p -86.87 150.89 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.45 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -63.04 -37.77 88.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -70.42 167.03 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.3 166.65 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.73 139.23 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -117.01 158.57 23.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 13.1 p -66.41 146.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.86 -75.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -92.24 136.59 13.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.601 0.238 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' A' ' 3' ' ' LYS . . . -114.11 71.51 0.24 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.453 1.096 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -104.79 169.11 8.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.69 93.69 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.48 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 64.9 p -140.25 159.82 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.609 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 4.2 m-85 -137.15 142.05 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 m -113.14 109.73 19.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 42' ' ' LEU . 47.0 t -107.38 115.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.423 HG21 ' CA ' ' A' ' 20' ' ' ASP . 85.6 m -114.91 138.15 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.6 t -127.96 131.11 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.436 HG23 ' CA ' ' A' ' 18' ' ' SER . 52.5 m -133.42 142.17 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.12 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.624 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.5 m-20 -100.73 109.39 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -68.45 -13.53 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.9 OUTLIER -82.76 -34.76 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.18 -2.95 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 59.61 13.94 26.32 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 11' ' ' THR . 61.6 t -88.17 140.76 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.436 ' CA ' HG23 ' A' ' 11' ' ' THR . 41.5 t -120.34 157.52 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 1.2 t -155.35 125.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' CA ' HG21 ' A' ' 9' ' ' THR . 0.0 OUTLIER -118.09 140.65 49.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -140.92 128.09 20.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -96.31 112.4 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -137.79 124.26 20.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -89.19 95.77 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.448 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 1.5 p -132.96 113.81 13.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -86.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.482 HG23 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.95 -37.15 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 6' ' ' TYR . 17.7 mt -51.63 -32.31 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.42 -25.93 30.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 89.6 t -63.24 136.16 96.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.01 -42.08 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.45 -36.42 75.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.482 ' CG2' HG23 ' A' ' 28' ' ' THR . 41.7 t -82.29 -44.95 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.33 -46.81 84.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' B' ' 232' ' ' PRO . . . -59.59 -49.65 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.1 mt-10 -62.78 -35.32 79.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 1.2 t -68.07 -51.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.41 HG23 ' O ' ' B' ' 229' ' ' LEU . 1.3 mm -61.36 -48.22 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -65.09 -43.86 90.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.608 1.192 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.5 t0 -57.77 -44.5 86.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -63.81 -54.25 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -58.17 -46.4 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.45 -36.66 66.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 78.6 m -73.43 -41.89 62.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.388 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 14.8 t -60.82 -43.22 94.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -72.73 -27.65 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.0 t -53.79 -39.42 65.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -74.39 -22.6 59.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.62 -39.76 44.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.1 p -94.39 175.37 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.349 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -49.0 177.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -58.13 149.44 23.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.364 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.2 140.97 30.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -164.52 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.615 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.57 151.21 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.27 151.12 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.6 p -161.37 44.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.36 -146.24 16.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.433 0.159 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 49.28 67.31 1.8 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.66 154.11 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.68 108.4 19.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.44 165.72 30.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.56 1.163 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.624 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.4 m-85 -136.9 146.69 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 93.5 m -124.23 109.27 13.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' B' ' 242' ' ' LEU . 55.8 t -103.32 126.62 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 4.2 m -113.39 148.64 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.444 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.0 t -140.41 114.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 55.1 m -119.49 131.75 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.379 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.9 m-20 -97.35 98.99 10.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . 0.48 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.89 -12.46 17.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -73.75 -39.43 64.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.61 -6.39 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.88 11.36 73.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.593 1.183 . . . . 0.0 111.076 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 42.4 t -81.33 142.84 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.463 ' C ' ' CG2' ' B' ' 219' ' ' VAL . 46.7 t -132.43 149.68 52.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.592 HG12 ' CE1' ' B' ' 221' ' ' TYR . 5.8 t -153.85 138.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.476 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -116.89 148.4 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . 0.681 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 3.6 m-85 -137.39 125.58 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -101.77 112.39 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 4.8 t -138.15 151.81 48.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 2.0 tm-20 -109.23 93.16 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 3.2 p -134.88 108.93 10.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . 0.483 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.1 Cg_endo -75.1 -83.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 227' ' ' MET . . . . . 0.483 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.75 -30.07 62.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.498 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.72 -33.32 34.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' B' ' 225' ' ' THR . 17.1 mt -55.72 -41.43 73.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.31 -24.53 60.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.6 t -66.75 135.0 94.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.09 -42.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.528 1.804 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.29 -34.23 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' B' ' 228' ' ' THR . 97.7 t -82.15 -47.03 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.19 -44.11 89.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.78 -46.75 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 19.2 mt-10 -67.08 -35.72 80.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.532 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 2.8 t -66.38 -54.65 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 17.4 mm -57.01 -51.3 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -63.24 -44.52 94.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.3 t70 -57.88 -44.29 86.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.681 ' CD2' ' CD1' ' B' ' 221' ' ' TYR . 0.5 OUTLIER -58.93 -51.8 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.84 -44.92 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.374 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.43 -37.36 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 245' ' ' THR . . . . . 0.417 HG21 ' CE2' ' B' ' 221' ' ' TYR . 2.1 m -73.86 -43.22 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.377 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . . . . . . . . . 95.6 t -60.73 -38.81 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -73.36 -33.51 65.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 248' ' ' SER . . . . . 0.404 ' O ' ' O ' ' B' ' 253' ' ' ASN . 25.7 m -54.25 -31.72 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -62.96 -37.51 87.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -53.03 -54.44 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 251' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.7 OUTLIER -77.9 174.65 10.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . 0.458 ' N ' ' OG1' ' B' ' 251' ' ' THR . 38.9 mm-40 -73.54 -25.3 60.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' B' ' 248' ' ' SER . 2.4 t-20 -77.0 133.8 39.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -111.06 -179.99 3.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -157.98 101.55 1.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.57 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.05 141.5 32.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.7 p -100.13 155.13 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 28.3 p -146.01 58.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.381 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 41.51 30.89 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 23.0 m0 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mtp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.524 0.202 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.41 104.76 0.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -106.25 168.93 8.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 0.788 . . . . 0.0 109.277 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.414 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.62 93.61 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.457 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 56.0 p -140.5 158.27 44.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.6 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 8.6 m-85 -136.57 139.47 42.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -114.06 113.83 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.486 ' CG1' HD12 ' A' ' 42' ' ' LEU . 55.7 t -104.18 120.82 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 20' ' ' ASP . 24.8 m -112.78 130.64 56.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -125.72 119.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 m -124.16 142.04 51.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.648 ' O ' ' N ' ' A' ' 16' ' ' GLY . 4.9 m-20 -99.66 99.01 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.459 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -61.17 -14.31 24.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.1 p -82.26 -36.27 27.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -111.15 2.13 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.79 17.46 9.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.382 1.051 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 HG12 ' CG1' ' A' ' 46' ' ' VAL . 46.5 t -90.43 120.28 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.53 151.83 21.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.025 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 t -153.47 126.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' CB ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -121.91 141.1 51.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.3 128.85 21.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.57 113.66 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.4 t -136.64 121.36 18.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -89.43 96.9 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 12.6 p -132.42 113.68 14.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.54 -28.8 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -52.16 -32.21 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' A' ' 25' ' ' THR . 15.0 mt -53.24 -31.55 43.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.71 -29.23 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 76.9 t -57.77 134.58 83.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.96 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.39 -37.82 78.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.476 ' CG2' HG11 ' A' ' 31' ' ' VAL . 98.8 t -79.34 -44.05 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.73 -45.23 90.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' B' ' 232' ' ' PRO . . . -60.61 -49.87 75.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 27.7 mt-10 -62.94 -33.66 75.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.49 HG11 ' CD1' ' A' ' 42' ' ' LEU . 1.3 t -70.44 -47.75 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.412 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 8.5 mm -66.18 -42.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -70.54 -44.46 67.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.8 t70 -57.07 -45.44 83.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.49 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.07 -53.42 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.5 t -57.7 -47.78 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -56.52 -35.19 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.6 m -74.46 -42.79 58.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.389 1.056 . . . . 0.0 110.409 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 6.3 t -60.86 -40.18 84.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -73.56 -31.47 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 p -53.79 -44.9 70.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.08 -27.81 68.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -90.09 61.42 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.464 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 3.1 t -126.33 -179.52 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' N ' ' OG1' ' A' ' 51' ' ' THR . 0.3 OUTLIER -44.63 -61.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 2.4 p-10 -110.41 135.16 51.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -79.22 -176.95 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.48 -74.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 5.2 p-10 -105.23 148.41 27.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 p -98.5 152.99 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.14 95.37 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 108.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.42 -113.6 4.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.7 mtm . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.569 0.224 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -58.89 98.42 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.83 157.72 29.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.737 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.15 107.91 19.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 45.1 p -147.94 165.8 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.62 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -135.44 145.84 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.6 m -116.71 106.73 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.48 ' CG1' HD12 ' B' ' 242' ' ' LEU . 55.6 t -105.24 117.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.437 HG21 ' CB ' ' B' ' 220' ' ' ASP . 1.7 m -109.32 146.32 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . 0.483 ' CG2' HD23 ' B' ' 242' ' ' LEU . 2.4 t -140.02 113.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 40.8 m -125.18 132.56 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.6 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -96.48 112.73 24.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . 0.419 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -71.44 -14.49 62.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -82.76 -35.97 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -110.45 0.64 17.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 53.64 19.48 9.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.419 1.075 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.472 ' CG1' HG11 ' B' ' 246' ' ' VAL . 25.9 t -89.83 120.19 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.488 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.45 138.63 47.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.602 HG13 ' CE1' ' B' ' 221' ' ' TYR . 17.2 t -149.31 137.57 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.528 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -117.91 149.15 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . 0.702 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 3.2 m-85 -138.06 126.01 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.37 113.32 26.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.8 148.67 44.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.25 94.26 5.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 1.8 p -134.59 111.49 11.52 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 110.459 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -85.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 36.5 mmt -73.7 -28.67 61.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.5 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.02 -36.45 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.521 ' CD1' ' O ' ' B' ' 225' ' ' THR . 26.6 mt -53.89 -37.67 63.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.28 -26.46 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.5 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 61.3 t -65.07 134.06 95.89 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.486 ' HA ' ' CB ' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.05 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.24 -34.95 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . . . . . . . . . 87.7 t -81.7 -45.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -66.18 -42.53 88.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -57.6 -48.28 79.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 2.5 tt0 -66.51 -35.43 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.516 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 1.5 t -66.11 -55.18 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.456 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 17.3 mm -57.1 -51.04 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.98 -43.9 97.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.7 t70 -57.35 -44.56 84.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.702 ' CD2' ' CD1' ' B' ' 221' ' ' TYR . 0.4 OUTLIER -59.15 -52.79 64.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.22 -45.2 96.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.95 -38.73 70.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 245' ' ' THR . . . . . 0.43 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 1.3 m -74.48 -36.63 63.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.472 HG11 ' CG1' ' B' ' 217' ' ' VAL . 2.5 t -60.96 -45.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -73.53 -30.66 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 9.4 t -54.17 -38.95 66.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.29 -25.56 66.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -64.21 -36.26 83.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 251' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -104.39 172.04 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . 0.456 ' N ' ' OG1' ' B' ' 251' ' ' THR . 14.0 pt-20 -101.1 24.02 10.0 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.538 1.149 . . . . 0.0 110.224 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -98.7 161.14 13.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.81 159.13 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -171.57 -62.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -77.4 153.43 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . 0.408 HG22 ' CD1' ' B' ' 260' ' ' TRP . 1.5 p -99.34 156.65 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' B' ' 259' ' ' GLY . 18.8 p -103.3 -42.87 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . 0.441 ' N ' ' SG ' ' B' ' 258' ' ' CYS . . . -157.14 135.75 4.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . 0.408 ' CD1' HG22 ' B' ' 257' ' ' VAL . 5.1 m0 . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.487 0.184 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.01 78.87 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.056 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.508 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -106.37 167.71 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 0.766 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.19 93.85 4.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.3 p -138.92 155.42 48.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 7.1 m-85 -133.38 136.78 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.461 ' CG2' ' OD1' ' A' ' 20' ' ' ASP . 15.6 m -113.75 115.32 27.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 42' ' ' LEU . 54.9 t -100.6 124.38 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.454 HG21 ' CB ' ' A' ' 20' ' ' ASP . 2.0 m -114.37 133.19 55.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 t -129.79 122.71 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.476 HG21 ' CA ' ' A' ' 18' ' ' SER . 87.7 m -127.67 142.45 51.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.9 101.45 12.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -60.38 -13.37 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.237 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.7 OUTLIER -81.48 -35.8 30.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.71 -1.38 16.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 58.36 15.35 23.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' HG21 ' A' ' 11' ' ' THR . 53.5 t -90.32 137.66 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.476 ' CA ' HG21 ' A' ' 11' ' ' THR . 47.4 t -119.06 155.7 31.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.6 t -155.9 132.95 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' OD1' ' CG2' ' A' ' 7' ' ' THR . 3.4 t0 -124.94 144.76 50.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.92 127.96 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -94.45 113.43 25.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -136.55 126.95 26.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -88.52 95.18 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 13.9 p -134.92 116.4 12.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -90.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -27.2 60.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -52.77 -18.64 1.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 25' ' ' THR . 24.1 mt -65.07 -41.59 94.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.9 -26.89 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 89.9 t -57.77 134.94 83.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.51 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.97 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.377 1.725 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.63 -35.59 72.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 28' ' ' THR . 8.4 t -81.91 -45.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.44 -46.73 84.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -58.66 -48.83 79.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.2 tt0 -64.74 -34.88 79.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.8 -47.69 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 34.2 mm -65.07 -46.27 91.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.28 -44.64 78.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t70 -57.87 -45.0 86.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.487 HD11 ' CG1' ' A' ' 8' ' ' VAL . 0.3 OUTLIER -63.67 -52.67 59.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.71 -48.99 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -56.12 -34.36 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -71.18 -46.65 60.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.461 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 3.4 t -60.99 -41.57 89.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -73.45 -30.19 63.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -40.51 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -73.51 -26.31 60.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -78.24 -41.15 35.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.1 p -92.44 155.28 17.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -70.18 -44.26 69.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -68.11 170.8 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.66 165.31 29.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.188 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.2 m80 63.03 -83.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.63 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -99.01 138.6 35.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -64.35 157.83 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -69.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.32 54.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.8 mtm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.508 0.194 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 60.79 51.12 60.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.12 . . . . 0.0 111.104 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -116.09 153.48 31.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . 0.42 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.24 107.35 18.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.456 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.7 p -145.95 164.16 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.593 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 2.5 m-85 -137.78 143.55 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 21.5 m -122.05 108.22 13.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . . . . . . . . . 78.6 t -99.19 122.7 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 220' ' ' ASP . 1.6 m -107.37 146.37 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 3.5 t -139.88 113.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.421 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 52.7 m -126.48 134.44 50.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.629 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -97.13 115.17 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -13.51 61.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -83.05 -36.05 25.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.982 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . 0.414 ' ND2' ' OD1' ' B' ' 250' ' ' ASP . 2.3 t30 -110.33 -1.51 17.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.46 16.83 16.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.478 ' CG1' HG12 ' B' ' 246' ' ' VAL . 43.0 t -88.09 125.79 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.421 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.65 148.07 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 69.2 t -153.11 134.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.7 145.94 49.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -140.61 128.16 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -103.88 115.46 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 7.5 t -138.52 145.21 40.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -94.58 93.65 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 110.303 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 12.1 p -134.5 104.98 10.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -80.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.43 1.753 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -29.36 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.475 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.15 -38.97 55.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' B' ' 206' ' ' TYR . 16.8 mt -51.71 -34.21 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.381 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 17.4 mt -82.92 -22.72 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 99.6 t -69.43 136.03 88.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.93 -42.6 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.6 -34.76 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' B' ' 228' ' ' THR . 80.6 t -82.03 -46.65 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.03 -45.61 84.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.515 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -55.22 -48.34 74.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.546 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -67.98 -34.98 77.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.507 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 2.1 t -66.24 -52.83 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.428 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.0 mm -60.02 -51.1 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.214 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.2 OUTLIER -62.26 -44.99 95.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 13.8 t0 -57.23 -45.53 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -63.35 -52.52 61.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.24 -44.53 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 1.0 OUTLIER -56.52 -36.87 69.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 63.2 m -71.43 -46.06 61.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.478 HG12 ' CG1' ' B' ' 217' ' ' VAL . 3.8 t -60.86 -37.07 75.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -34.2 64.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 4.3 m -53.73 -46.07 70.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -24.97 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . 0.414 ' OD1' ' ND2' ' B' ' 215' ' ' ASN . 43.2 t0 -47.76 -37.1 12.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 251' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -103.29 171.52 7.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' B' ' 251' ' ' THR . 0.0 OUTLIER -72.73 -8.65 56.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -93.14 134.44 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.6 54.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -77.89 136.95 38.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -116.27 156.92 25.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.47 147.27 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.077 . . . . 0.0 109.287 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -89.46 158.44 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -37.71 -77.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 28.8 m95 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.458 0.17 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' C ' ' HD3' ' A' ' 3' ' ' LYS . . . -178.35 -52.04 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 2' ' ' GLY . 14.4 mmtt -104.76 169.75 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.206 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.431 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.12 93.37 4.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.443 ' OG1' ' HB2' ' B' ' 213' ' ' ASN . 70.6 p -136.16 165.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.599 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.1 144.28 43.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -119.45 108.67 14.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 110.407 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 42' ' ' LEU . 74.5 t -100.68 128.73 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 19' ' ' VAL . 17.0 m -124.1 129.16 50.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.487 ' CG2' HD21 ' A' ' 42' ' ' LEU . 2.9 t -124.27 126.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 99.9 m -129.9 137.45 50.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.591 ' O ' ' N ' ' A' ' 16' ' ' GLY . 5.0 p30 -100.37 98.96 9.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -56.81 -16.1 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -76.7 -34.98 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -111.29 -4.33 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.44 14.56 35.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 41.2 t -90.58 127.68 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.509 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 1.0 OUTLIER -114.63 147.98 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.066 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.612 HG13 ' CE1' ' A' ' 21' ' ' TYR . 34.4 t -147.49 154.85 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.507 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -134.76 147.55 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.659 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 2.9 m-85 -138.63 126.37 22.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -105.4 111.97 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.262 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -138.27 139.87 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -90.74 94.12 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 p -133.6 110.74 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -86.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -27.77 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.502 HG22 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.38 -24.26 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.522 HD13 ' CE2' ' A' ' 6' ' ' TYR . 27.2 mt -61.95 -37.3 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mt -81.45 -23.44 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 74.6 t -62.12 133.66 94.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.06 -44.12 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.502 ' CG2' HG22 ' A' ' 28' ' ' THR . 78.4 t -80.15 -44.51 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -64.84 -41.86 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.5 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -61.81 -49.44 76.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.4 mt-10 -64.31 -34.44 78.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.513 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 2.4 t -69.87 -53.51 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.477 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 14.9 mm -57.34 -47.63 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -66.83 -44.94 79.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.9 t70 -57.53 -44.91 85.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.659 ' CD2' ' CD1' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -59.35 -51.35 70.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.76 -48.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.1 m-80 -57.31 -36.73 71.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.414 ' HB ' ' OH ' ' A' ' 21' ' ' TYR . 3.5 m -73.75 -44.62 55.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.23 -40.62 84.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -73.94 -31.92 63.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 54' ' ' GLU . 12.7 p -54.92 -39.13 68.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.974 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.41 -27.81 66.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.77 -31.13 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.2 p -86.31 140.68 29.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.46 -58.89 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 110.28 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.06 134.21 52.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.158 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.4 pt-20 -107.2 65.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -159.79 -62.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.651 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -88.26 141.44 28.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -95.0 142.8 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.2 p -126.05 -46.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 108.336 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.99 -156.57 9.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 47.2 m95 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.7 mtm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.537 0.208 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 77.28 55.62 4.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.2 156.46 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.35 107.59 18.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 16.9 p -147.9 161.43 41.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.581 ' CD2' HD13 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -136.32 148.38 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.0 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.7 m -127.5 109.13 11.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.492 ' CG1' HD12 ' B' ' 242' ' ' LEU . 54.1 t -102.82 126.29 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 2.0 m -112.56 147.59 36.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 5.7 t -139.81 115.17 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.5 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 5.6 m -124.97 131.09 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.55 98.9 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . 0.443 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 1.0 OUTLIER -58.91 -15.42 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.431 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -78.73 -34.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -109.72 -3.45 16.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.5 12.98 35.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 70.9 t -89.73 144.52 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.5 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.3 t -127.68 154.84 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.456 ' HB ' ' CG2' ' B' ' 246' ' ' VAL . 51.3 t -155.23 127.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.39 143.56 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -140.2 127.93 21.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -101.68 114.34 28.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 110.222 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 223' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 206' ' ' TYR . 13.8 t -138.32 149.66 45.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.072 . . . . 0.0 110.366 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.46 94.7 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 12.0 p -133.52 106.59 11.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.96 -82.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.548 1.815 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -74.23 -29.97 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.49 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -53.77 -39.1 65.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.581 HD13 ' CD2' ' B' ' 206' ' ' TYR . 15.9 mt -51.57 -34.88 38.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.38 -25.91 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 88.3 t -65.1 135.96 96.49 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.47 -35.06 74.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' B' ' 228' ' ' THR . 70.6 t -82.1 -46.55 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.2 -43.74 94.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.52 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.89 -48.2 78.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.2 mm-40 -70.55 -34.98 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.51 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 1.7 t -68.87 -36.99 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.469 ' CG1' HG12 ' A' ' 39' ' ' ILE . 2.9 mm -77.52 -45.65 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -67.26 -43.88 80.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 30.4 t0 -57.69 -44.98 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' B' ' 238' ' ' VAL . 0.2 OUTLIER -63.38 -48.65 76.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.7 t -62.85 -47.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.5 OUTLIER -56.31 -32.72 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 245' ' ' THR . . . . . 0.455 HG22 ' CG1' ' B' ' 219' ' ' VAL . 50.0 m -73.74 -43.3 59.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' B' ' 242' ' ' LEU . 4.5 t -62.96 -47.27 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . 0.426 ' CG ' ' HA ' ' B' ' 244' ' ' ASN . 0.0 OUTLIER -74.05 -25.67 59.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.1 m -55.39 -38.25 68.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.76 -31.24 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.83 -19.31 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 32.4 p -107.65 148.65 29.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.411 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -40.96 -47.9 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -97.61 133.82 41.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -107.05 52.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.63 146.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -111.7 140.09 46.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.3 153.1 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.91 -49.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 108.385 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 170.47 -96.87 0.12 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 28.9 m95 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 mtp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.541 0.21 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.406 ' C ' ' HD2' ' A' ' 3' ' ' LYS . . . -136.31 98.11 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' B' ' 214' ' ' SER . 3.8 mptp? -106.7 166.6 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.4 93.4 4.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 p -140.3 165.87 26.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' B' ' 212' ' ' ASN . 0.9 OUTLIER -138.07 143.57 40.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 m -121.9 107.55 12.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.49 ' CG1' HD12 ' A' ' 42' ' ' LEU . 40.9 t -95.17 113.28 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.474 ' CG2' ' CG ' ' A' ' 20' ' ' ASP . 1.3 m -101.12 122.68 44.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.517 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 16.8 t -123.06 119.9 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.0 m -129.17 144.43 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.426 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.592 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 1.4 m-20 -98.84 120.28 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -80.82 -15.72 55.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.54 -35.49 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -110.82 -10.56 14.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.09 22.65 69.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG11 ' CG1' ' A' ' 46' ' ' VAL . 11.7 t -90.16 121.56 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.84 140.29 39.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.487 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.6 t -153.64 126.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' CG ' ' CG2' ' A' ' 9' ' ' THR . 6.2 t0 -120.56 148.37 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' OH ' ' OG1' ' A' ' 45' ' ' THR . 2.3 m-85 -137.94 127.6 25.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -88.9 114.01 25.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -136.6 120.32 17.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.62 94.81 10.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.401 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -134.34 117.98 13.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -90.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.12 -27.34 60.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.486 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -52.44 -29.35 24.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.496 HD12 ' CE2' ' A' ' 6' ' ' TYR . 16.1 mt -52.73 -32.32 42.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.613 1.196 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.93 -31.65 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 97.2 t -55.25 133.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.95 -41.72 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.8 -35.64 73.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 28' ' ' THR . 19.8 t -82.11 -45.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -63.18 -48.11 79.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' B' ' 232' ' ' PRO . . . -58.43 -48.12 81.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -61.36 -34.06 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 ' CG1' HD11 ' B' ' 239' ' ' ILE . 2.9 t -71.06 -52.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 17.2 mm -60.4 -42.05 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -72.58 -41.4 65.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t0 -57.77 -45.09 86.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.517 ' CD2' ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -62.46 -51.76 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG1' HD22 ' B' ' 230' ' ' LEU . 1.5 t -61.35 -46.7 96.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.44 -37.08 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.4 ' OG1' ' OH ' ' A' ' 21' ' ' TYR . 3.5 m -73.75 -38.61 64.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 8.5 t -61.23 -46.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -72.61 -28.1 62.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -53.35 -36.01 60.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -71.28 -32.91 69.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -43.65 -49.73 7.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.466 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -90.2 173.74 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' N ' ' OG1' ' A' ' 51' ' ' THR . 1.5 pt-20 -54.61 146.77 15.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -62.1 134.02 56.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -123.42 179.24 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -74.97 -82.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.619 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -98.46 149.88 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 p -74.89 121.29 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -175.42 115.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 108.326 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.61 -60.29 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.421 ' CD1' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 62.1 mtp . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.562 0.22 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 45.08 64.88 2.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -120.01 151.92 38.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 0.804 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . 0.41 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.17 107.37 18.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.495 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 43.7 p -148.88 164.53 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.592 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.7 m-85 -136.35 143.1 43.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.1 m -113.39 107.83 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.496 ' CG1' HD11 ' B' ' 242' ' ' LEU . 74.3 t -104.92 116.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.486 HG21 ' CB ' ' B' ' 220' ' ' ASP . 1.6 m -108.18 148.86 29.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.408 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 2.4 t -140.24 114.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.446 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 96.5 m -123.89 132.26 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.3 OUTLIER -98.92 100.4 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.64 -15.71 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 18.3 p -70.06 -38.42 75.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . 0.522 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.5 t30 -113.94 -6.46 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 67.9 10.56 58.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.403 ' O ' ' ND2' ' B' ' 212' ' ' ASN . 21.0 t -82.71 125.7 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.446 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.3 OUTLIER -110.87 139.69 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.435 HG23 ' CG2' ' B' ' 246' ' ' VAL . 54.5 t -137.32 131.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.486 ' CB ' HG21 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.96 144.65 46.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -141.63 128.38 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -97.5 114.51 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.94 144.6 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 95.22 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.471 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 15.8 p -134.29 110.83 11.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -85.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.9 mtm -75.6 -28.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.507 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.1 OUTLIER -51.89 -34.21 40.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.427 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 16.7 mt -51.92 -32.86 34.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . 0.456 HD22 ' CG1' ' A' ' 43' ' ' VAL . 20.1 mt -81.91 -26.07 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 99.6 t -64.73 133.77 95.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.89 -42.79 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.433 1.754 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.51 -34.99 73.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' B' ' 228' ' ' THR . 38.8 t -83.12 -46.48 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.43 -44.04 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' B' ' 232' ' ' PRO . . . -57.18 -48.43 78.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 3.1 tt0 -65.33 -36.37 83.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . . . . . . . . . 1.3 t -66.92 -48.11 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.462 HD11 ' CG1' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -65.63 -48.48 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.19 -42.86 96.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.4 t70 -58.8 -45.18 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.496 HD11 ' CG1' ' B' ' 208' ' ' VAL . 0.3 OUTLIER -61.48 -47.59 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.8 t -65.79 -46.83 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.411 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.91 -36.76 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 1.9 m -74.84 -39.21 61.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.556 ' CG1' ' ND2' ' B' ' 212' ' ' ASN . 72.1 t -61.68 -42.19 93.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -72.25 -33.35 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 3.5 m -55.99 -37.35 68.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -32.72 72.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -72.14 -27.2 62.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 73.3 p -93.96 165.46 12.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 110.398 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -55.35 -62.59 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.22 136.3 57.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.61 1.194 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.24 147.0 26.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 12.0 m170 61.08 154.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -116.49 152.29 34.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.8 p -76.05 129.56 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.8 170.85 9.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 108.338 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -55.84 154.52 13.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 6.2 m95 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.45 0.167 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.409 ' C ' ' HD3' ' A' ' 3' ' ' LYS . . . -89.31 80.42 1.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' B' ' 214' ' ' SER . 30.3 mmtt -102.05 170.36 8.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.23 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.06 93.6 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 67.0 p -135.52 162.29 33.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.618 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.46 142.72 41.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 m -116.48 108.61 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.446 HG13 ' CD2' ' A' ' 42' ' ' LEU . 61.9 t -102.99 120.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 6.8 m -116.52 131.96 56.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.48 ' CG2' HD23 ' A' ' 42' ' ' LEU . 2.6 t -126.72 121.74 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.216 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 54.4 m -125.63 140.28 52.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.4 111.51 23.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.11 -14.23 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -82.38 -35.0 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -110.43 -5.79 15.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.73 19.5 58.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.459 ' CG1' HG11 ' A' ' 46' ' ' VAL . 40.4 t -90.93 124.18 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.508 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -114.24 144.17 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.059 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' A' ' 21' ' ' TYR . 21.9 t -150.88 150.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -130.02 148.67 51.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.676 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 2.6 m-85 -138.41 125.84 21.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.5 110.74 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 t -138.72 129.02 25.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.83 96.14 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.524 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 12.1 p -133.92 116.9 13.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -87.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.563 1.823 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.3 mtm -74.4 -28.87 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.476 HG21 ' CG2' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -50.99 -25.35 4.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.589 HD12 ' CE2' ' A' ' 6' ' ' TYR . 31.3 mt -64.62 -38.29 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.37 -22.58 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 88.9 t -63.4 136.07 96.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.95 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.8 -35.25 74.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.476 ' CG2' HG21 ' A' ' 28' ' ' THR . 77.1 t -80.7 -45.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.506 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -64.22 -45.77 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -59.32 -48.87 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -63.73 -35.05 79.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.518 ' O ' ' CD1' ' A' ' 42' ' ' LEU . 2.1 t -69.25 -53.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 11.9 mm -57.31 -46.8 85.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.26 -42.63 79.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.3 t70 -58.31 -45.03 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.676 ' CD2' ' CD1' ' A' ' 21' ' ' TYR . 0.6 OUTLIER -59.76 -52.54 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 t -63.54 -47.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 1.3 m-80 -56.15 -39.29 72.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.2 m -75.42 -42.88 52.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.459 HG11 ' CG1' ' A' ' 17' ' ' VAL . 15.7 t -59.97 -39.65 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -73.66 -33.32 64.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' THR . 1.5 t -63.28 -31.45 72.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -67.17 -31.33 71.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -85.42 -54.97 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -122.17 170.97 9.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 110.385 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' OG1' ' A' ' 51' ' ' THR . 3.8 tt0 41.97 71.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -100.01 151.06 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.99 33.9 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -153.67 -75.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -115.57 155.6 27.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.45 131.43 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -54.61 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.26 -144.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.101 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 55.9 m95 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.556 0.217 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 73.29 52.77 8.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 152.96 39.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.63 107.51 18.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 31.5 p -148.86 159.65 43.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.059 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.584 ' HH ' ' ND2' ' A' ' 12' ' ' ASN . 5.9 m-85 -135.8 141.43 44.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.207 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.0 m -116.69 108.22 15.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.434 ' CG2' HG21 ' A' ' 10' ' ' VAL . 75.4 t -101.11 120.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.479 HG22 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -105.21 144.9 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.447 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . . . . . . . . . 5.8 t -140.27 115.54 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.415 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 55.4 m -127.55 134.56 49.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.618 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.83 99.68 11.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . 0.451 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.61 -13.33 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -80.97 -35.62 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' B' ' 250' ' ' ASP . 2.9 t30 -111.07 -0.63 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.03 16.75 34.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.456 HG12 ' CG1' ' B' ' 246' ' ' VAL . 55.9 t -90.77 124.92 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.415 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.27 149.06 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.456 ' HB ' ' CG2' ' B' ' 246' ' ' VAL . 67.9 t -153.63 135.0 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.479 ' CB ' HG22 ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.74 145.66 49.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . 0.406 ' CE2' HG22 ' B' ' 245' ' ' THR . 4.2 m-85 -141.23 128.26 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -102.75 114.52 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.9 t -138.98 151.42 46.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 110.444 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.86 94.99 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.474 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 20.8 p -133.73 106.27 11.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -81.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.3 mtm -73.84 -30.22 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.476 ' HB ' ' CG1' ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.74 -40.09 62.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 19.0 mt -52.45 -36.28 54.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.4 mt -80.94 -24.08 38.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' B' ' 232' ' ' PRO . 96.4 t -68.54 136.08 90.64 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.96 -42.26 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.58 -35.07 75.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.476 ' CG1' ' HB ' ' B' ' 228' ' ' THR . 69.1 t -82.73 -46.65 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -63.94 -45.86 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.506 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -55.72 -48.55 74.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.9 OUTLIER -67.64 -35.27 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.505 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 2.1 t -66.15 -52.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.433 ' HB ' ' CB ' ' A' ' 35' ' ' ALA . 23.4 mm -59.93 -50.69 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.54 -43.29 97.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -57.4 -44.65 84.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.505 ' CD1' ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -65.72 -54.29 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.7 t -57.16 -43.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.0 OUTLIER -55.51 -38.24 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 245' ' ' THR . . . . . 0.406 HG22 ' CE2' ' B' ' 221' ' ' TYR . 19.2 m -71.99 -44.92 62.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.456 ' CG1' HG12 ' B' ' 217' ' ' VAL . 3.5 t -61.71 -39.11 82.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -73.44 -28.96 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 10.4 t -57.07 -38.12 72.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.053 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.11 -32.22 63.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 111.065 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . 0.453 ' OD1' ' ND2' ' B' ' 215' ' ' ASN . 28.2 t70 -44.21 -37.17 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 251' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -100.27 172.55 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.609 1.193 . . . . 0.0 110.384 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . 0.451 ' N ' ' OG1' ' B' ' 251' ' ' THR . 2.9 mt-10 -67.35 -26.3 66.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.06 134.51 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -111.6 51.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -169.46 132.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.557 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -115.02 136.74 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.95 126.63 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.16 -62.59 0.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.167 . . . . 0.0 108.253 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 150.38 161.4 9.89 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 49.8 p-90 . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.449 0.166 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.59 80.35 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.594 1.184 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' B' ' 214' ' ' SER . 4.4 mmtm -105.51 169.95 8.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.756 . . . . 0.0 109.342 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.0 93.75 4.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -136.18 166.84 22.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' B' ' 212' ' ' ASN . 2.9 m-85 -138.14 141.3 40.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -112.99 108.6 17.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.533 ' CG1' ' CD1' ' A' ' 42' ' ' LEU . 24.1 t -105.14 118.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 28.5 m -116.34 123.0 46.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.489 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 3.0 t -119.98 120.38 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.9 m -127.88 143.48 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.603 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 6.2 m-20 -98.73 122.46 41.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.58 -15.57 54.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.35 -35.9 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -111.38 -9.55 14.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.71 22.04 65.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.475 ' CG1' HG12 ' A' ' 46' ' ' VAL . 41.8 t -90.17 123.0 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 0.719 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.13 145.97 29.83 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.44 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.3 t -152.94 123.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.88 144.34 48.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.8 127.72 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.98 113.63 24.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 t -137.16 121.82 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.453 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.91 95.91 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 35.0 p -134.17 115.49 12.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -27.66 60.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.47 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -52.27 -21.47 3.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 25' ' ' THR . 22.4 mt -62.83 -40.12 96.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.57 -25.59 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 98.2 t -61.52 134.26 93.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.497 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -75.05 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.78 -37.54 76.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.469 ' CG2' HG22 ' A' ' 28' ' ' THR . 17.0 t -81.13 -45.82 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.505 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -61.83 -48.31 81.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HA ' ' CB ' ' B' ' 235' ' ' ALA . . . -57.8 -48.88 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.9 tm-20 -62.18 -35.33 78.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.416 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.3 t -69.14 -53.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 20.2 mm -57.47 -50.63 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.4 t0 -61.6 -44.49 96.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.533 ' CD1' ' CG1' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -63.17 -50.28 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 t -63.17 -44.96 99.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.19 -39.38 69.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 m -74.77 -36.71 62.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 110.453 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG12 ' CG1' ' A' ' 17' ' ' VAL . 92.6 t -61.99 -44.29 98.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -73.41 -30.26 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -54.29 -37.96 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -70.97 -25.65 62.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.58 -32.7 66.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.179 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 p -93.03 148.17 22.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.66 -29.3 69.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -115.08 134.09 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 55' ' ' HIS . 1.6 pt-20 -101.13 158.24 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER 86.17 -72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -83.29 152.57 25.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 p -94.07 120.43 43.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 25.4 p 179.58 150.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.261 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.28 -97.69 2.09 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.411 1.069 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 33.1 m95 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 6.7 mtm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.486 0.184 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -124.42 57.62 0.67 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.483 1.114 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -120.67 155.15 34.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.83 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 12.6 p -147.54 162.84 38.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.478 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 4.5 m-85 -135.47 141.34 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.9 m -112.61 108.85 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' B' ' 242' ' ' LEU . 34.2 t -108.57 113.57 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' B' ' 220' ' ' ASP . 1.1 m -102.58 147.77 26.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . 0.479 ' HB ' ' CD2' ' B' ' 242' ' ' LEU . 2.3 t -140.07 114.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 59.8 m -129.78 130.76 45.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.412 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.575 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 0.2 OUTLIER -98.87 100.15 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.71 -17.11 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -68.3 -37.8 81.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.961 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . 0.497 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.7 t30 -112.88 -8.12 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 69.35 12.65 66.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.407 ' HB ' ' OD1' ' B' ' 212' ' ' ASN . 25.1 t -86.54 125.47 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.229 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.433 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -110.4 150.12 29.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 37.3 t -152.63 129.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.393 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.69 144.05 46.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -139.87 128.02 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -103.43 114.68 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.93 151.93 47.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 1.6 tm-20 -106.94 94.38 5.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.53 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 46.3 p -135.28 106.11 10.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . 0.474 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.6 Cg_endo -74.97 -82.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.551 1.816 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 227' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.46 -30.57 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -51.86 -37.68 53.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.53 ' CD1' ' O ' ' B' ' 225' ' ' THR . 16.6 mt -52.22 -36.33 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 26.9 mt -79.94 -22.14 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.3 t -70.6 136.67 85.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.494 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.94 -42.68 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.1 -34.99 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.45 ' CG1' ' HB ' ' B' ' 228' ' ' THR . 59.0 t -82.66 -46.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -64.55 -45.77 85.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.505 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -55.68 -47.7 76.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.8 OUTLIER -66.41 -35.28 79.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.403 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.41 -52.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 7.0 mm -60.19 -49.29 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.98 -41.01 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 0.8 OUTLIER -58.43 -45.45 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.479 ' CD2' ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -62.58 -50.34 71.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.5 t -62.35 -44.51 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.427 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.78 -37.72 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 23.9 m -73.08 -39.38 65.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.424 HG12 ' ND2' ' B' ' 212' ' ' ASN . 2.5 t -61.33 -44.57 98.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.394 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -73.12 -28.07 62.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.25 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 5.0 p -54.66 -47.92 72.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.419 1.075 . . . . 0.0 109.948 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -61.04 -27.63 68.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -25.54 66.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 251' ' ' THR . . . . . 0.431 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -119.31 171.05 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . 0.431 ' N ' ' OG1' ' B' ' 251' ' ' THR . 2.1 mt-10 -103.86 59.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' B' ' 254' ' ' GLU . 7.0 t-20 -109.16 146.52 33.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 253' ' ' ASN . 10.1 pt-20 40.13 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . 0.413 ' N ' ' HG3' ' B' ' 254' ' ' GLU . 0.0 OUTLIER 169.8 48.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 0.0 109.625 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.24 154.14 20.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.75 158.01 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.586 1.179 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 24.6 p -104.69 163.92 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 61.92 -160.66 29.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 36.1 m95 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtm . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.579 0.228 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.5 83.66 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.409 1.068 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -109.05 169.62 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.75 93.59 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -143.23 160.35 40.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.41 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.58 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 4.6 m-85 -132.46 142.82 49.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -112.47 109.81 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.593 1.183 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.496 ' CG1' ' CD1' ' A' ' 42' ' ' LEU . 7.2 t -105.25 115.06 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 93.5 m -113.43 128.95 56.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.495 ' HB ' ' CD2' ' A' ' 42' ' ' LEU . 5.6 t -125.31 121.39 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.0 m -127.58 144.92 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.6 m-20 -99.14 122.01 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.468 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.3 -15.37 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.457 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.32 -36.38 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -111.13 -7.16 14.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.74 23.49 61.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.587 1.179 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 ' CG1' HG11 ' A' ' 46' ' ' VAL . 11.6 t -90.34 120.22 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.49 145.52 29.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.08 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.492 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 3.2 t -152.84 124.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.05 144.57 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.11 128.36 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -97.98 113.51 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.3 t -137.04 129.79 30.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.21 95.92 10.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.6 p -133.77 112.47 12.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 -86.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.58 -28.14 61.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.491 ' HA ' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.2 -34.38 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 25' ' ' THR . 24.2 mt -54.47 -36.25 63.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -80.34 -26.13 38.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 89.2 t -63.03 137.38 97.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.02 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.773 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.73 -44.77 90.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 28' ' ' THR . 72.0 t -72.15 -44.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' B' ' 236' ' ' ALA . . . -62.5 -48.31 80.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' B' ' 232' ' ' PRO . . . -58.52 -48.81 79.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -61.73 -35.11 77.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -68.67 -52.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' B' ' 229' ' ' LEU . 33.4 mm -59.85 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -62.14 -42.31 99.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.5 t0 -58.8 -44.52 90.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD1' ' CG1' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -59.93 -52.26 66.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 t -63.64 -44.15 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.4 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.08 -37.13 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 m -74.57 -39.83 62.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 4.6 t -60.72 -43.18 94.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.5 mtm180 -72.89 -31.42 64.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.66 -37.06 62.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.406 1.066 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.77 -28.74 61.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.92 -34.22 62.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.382 1.051 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.2 p -89.7 140.61 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.83 -64.95 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.29 134.09 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.524 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 1.7 pt-20 -104.36 113.74 27.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -176.31 -64.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.588 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -118.42 143.07 46.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.3 m -64.02 121.59 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.072 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -172.39 116.28 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 108.246 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.545 ' C ' ' CG ' ' A' ' 60' ' ' TRP . . . 129.03 -116.53 2.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.545 ' CG ' ' C ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 7.2 mtp . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.453 0.168 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 56.44 58.09 16.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -122.1 155.35 35.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 0.78 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' ALA . . . . . 0.457 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.76 107.83 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 205' ' ' THR . . . . . 0.468 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 11.5 p -147.84 166.9 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 206' ' ' TYR . . . . . 0.549 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 3.2 m-85 -137.07 143.32 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.7 m -111.79 107.73 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' VAL . . . . . 0.489 HG11 ' CD2' ' B' ' 242' ' ' LEU . 50.3 t -106.17 119.33 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' THR . . . . . 0.483 HG22 ' CB ' ' B' ' 220' ' ' ASP . 1.9 m -112.14 147.11 36.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' VAL . . . . . 0.477 ' CG2' HD21 ' B' ' 242' ' ' LEU . 2.6 t -140.35 114.13 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' THR . . . . . 0.479 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 57.1 m -122.38 134.6 54.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -97.08 101.15 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -14.03 29.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 1.2 p -82.06 -34.92 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -111.02 0.24 16.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 216' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.14 17.18 16.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 217' ' ' VAL . . . . . 0.461 ' CG1' HG11 ' B' ' 246' ' ' VAL . 43.4 t -90.76 125.16 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 218' ' ' SER . . . . . 0.479 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -114.31 142.31 46.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 219' ' ' VAL . . . . . 0.585 HG13 ' CE1' ' B' ' 221' ' ' TYR . 4.2 t -149.84 137.04 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.326 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 220' ' ' ASP . . . . . 0.483 ' CB ' HG22 ' B' ' 209' ' ' THR . 0.0 OUTLIER -117.11 148.92 41.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 221' ' ' TYR . . . . . 0.726 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 3.9 m-85 -137.96 126.31 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.45 114.0 27.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -138.43 151.93 47.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . 0.401 ' OE2' ' O ' ' B' ' 204' ' ' ALA . 28.0 tt0 -104.98 93.29 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 225' ' ' THR . . . . . 0.485 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 5.3 p -134.58 107.12 10.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 38.4 mmt -74.94 -29.18 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 228' ' ' THR . . . . . 0.481 ' HA ' ' CG2' ' B' ' 231' ' ' VAL . 0.0 OUTLIER -52.07 -33.91 41.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.46 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 229' ' ' LEU . . . . . 0.504 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 16.1 mt -53.75 -32.94 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 19.1 mt -83.93 -22.01 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 231' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 88.4 t -67.96 134.02 91.94 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.214 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 232' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.02 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.5 -34.29 73.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 234' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' B' ' 228' ' ' THR . 96.3 t -82.42 -46.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 235' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 36' ' ' ALA . . . -65.4 -43.96 88.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 236' ' ' ALA . . . . . 0.515 ' HA ' ' CB ' ' A' ' 35' ' ' ALA . . . -56.43 -48.48 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 237' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 5.5 tt0 -66.85 -35.61 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 238' ' ' VAL . . . . . 0.524 ' O ' ' CD1' ' B' ' 242' ' ' LEU . 2.0 t -65.71 -55.32 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 239' ' ' ILE . . . . . 0.428 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 30.0 mm -56.93 -51.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 241' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.0 -44.36 87.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 242' ' ' LEU . . . . . 0.726 ' CD2' ' CD1' ' B' ' 221' ' ' TYR . 0.5 OUTLIER -59.48 -49.78 76.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.8 t -67.93 -45.55 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 244' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.07 -38.5 68.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 3.7 m -74.55 -40.76 61.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 246' ' ' VAL . . . . . 0.461 HG11 ' CG1' ' B' ' 217' ' ' VAL . 64.8 t -60.97 -39.49 82.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.403 1.064 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -73.34 -34.89 65.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 47.2 m -58.51 -35.18 71.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -61.43 -25.11 67.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -28.06 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 73.0 p -87.5 160.69 18.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.162 . . . . 0.0 110.426 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -40.85 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.92 160.82 30.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.01 166.81 32.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -103.62 177.2 4.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -97.94 156.73 16.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.35 120.78 24.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.84 56.12 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 44.4 49.89 8.24 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 49.3 m0 . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.05 93.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.465 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 59.3 p -137.07 163.25 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.14 142.46 42.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 m -118.33 109.22 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.689 HG22 HG22 ' B' ' 210' ' ' VAL . 51.3 t -103.22 119.14 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.373 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 36.9 m -111.88 123.19 49.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.0 HG22 HG22 ' B' ' 208' ' ' VAL . 3.5 t -118.5 124.16 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.547 HG23 ' CA ' ' A' ' 18' ' ' SER . 79.9 m -131.76 143.9 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.587 ' OD1' ' CE1' ' B' ' 206' ' ' TYR . 1.2 m-20 -99.07 121.51 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -81.63 -15.85 53.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.454 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.36 -35.88 24.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -110.48 -9.84 14.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 64.22 23.17 67.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 11' ' ' THR . 10.4 t -90.67 121.93 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.725 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.547 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -104.79 146.36 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.949 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG12 HD23 ' A' ' 42' ' ' LEU . 2.7 t -152.67 124.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -120.69 140.82 51.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.3 m-85 -140.54 129.09 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -90.86 114.33 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.4 t -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.6 pt-20 -88.58 95.8 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.2 p -133.33 118.44 14.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.757 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -27.63 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.103 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -52.21 -20.27 2.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.552 ' O ' HG22 ' B' ' 239' ' ' ILE . 29.0 mt -64.63 -40.24 95.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 HG11 ' B' ' 243' ' ' VAL . 14.8 mt -73.96 -26.34 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' ' 34' ' ' VAL . 85.7 t -60.38 133.88 91.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -74.96 -43.85 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -57.89 -36.95 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.103 HG21 HG22 ' A' ' 28' ' ' THR . 24.5 t -81.19 -45.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.656 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.82 -44.37 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.75 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.96 -49.26 78.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.95 -34.67 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.531 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.62 -52.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.758 HG22 ' O ' ' B' ' 229' ' ' LEU . 16.5 mm -60.3 -43.61 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.9 -40.62 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.2 t70 -58.4 -44.4 88.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.718 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -64.31 -51.42 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.655 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.5 t -60.19 -47.12 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.4 m120 -55.74 -36.67 67.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.575 HG21 ' CE1' ' A' ' 21' ' ' TYR . 2.0 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 204' ' ' ALA . . . . . 0.454 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.72 107.9 18.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.05 166.52 27.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.587 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -136.94 145.26 44.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 3.2 m -116.25 107.99 15.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 1.0 HG22 HG22 ' A' ' 10' ' ' VAL . 48.0 t -109.87 115.94 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 2.1 m -104.99 150.27 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.689 HG22 HG22 ' A' ' 8' ' ' VAL . 2.2 t -139.64 114.6 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.496 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 3.1 m -125.05 132.06 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.4 OUTLIER -96.75 99.3 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 213' ' ' ASN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -60.4 -12.64 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.01 -35.49 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -110.54 -2.62 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.53 13.35 37.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 79.0 t -89.28 144.99 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 109.23 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.496 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.0 t -127.27 154.73 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 218' ' ' SER . 45.5 t -155.24 124.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.84 143.97 43.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.3 m-85 -140.75 127.58 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -101.54 113.42 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -138.11 149.17 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.23 95.09 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.531 ' O ' HD12 ' B' ' 229' ' ' LEU . 19.8 p -133.58 108.58 12.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.352 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.02 -29.66 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.081 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.11 -36.39 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.437 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.758 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.6 mt -51.23 -32.35 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.528 HD21 HG11 ' A' ' 43' ' ' VAL . 27.3 mt -82.78 -25.99 32.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.562 HG12 ' H ' ' B' ' 234' ' ' VAL . 95.3 t -63.97 134.64 96.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.75 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.6 Cg_endo -74.88 -43.53 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.69 -35.42 74.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.081 HG21 HG22 ' B' ' 228' ' ' THR . 60.6 t -81.84 -45.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.572 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.375 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.544 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -58.06 -47.88 81.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -68.18 -35.18 77.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.893 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.5 t -68.61 -39.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.656 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 9.4 mm -75.24 -44.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -68.51 -40.97 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.2 t70 -60.09 -45.68 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.893 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -61.06 -49.14 78.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.6 t -64.65 -45.19 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.3 m120 -56.45 -36.5 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.455 HG21 ' CE2' ' B' ' 221' ' ' TYR . 88.7 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' B' ' 214' ' ' SER . 2.4 mmtt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.1 93.29 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.442 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 65.8 p -135.71 163.4 30.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.676 ' CD2' HD11 ' A' ' 29' ' ' LEU . 4.5 m-85 -136.73 140.68 42.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.21 109.88 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.586 HG22 HG22 ' B' ' 210' ' ' VAL . 64.4 t -102.21 129.41 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 13.4 m -124.43 124.16 41.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.062 HG22 HG22 ' B' ' 208' ' ' VAL . 2.6 t -119.05 125.35 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 17' ' ' VAL . 52.2 m -131.09 142.3 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.2 m-20 -101.25 100.39 10.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.453 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -61.62 -13.27 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.424 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.0 OUTLIER -81.71 -35.0 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -110.79 -1.67 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.32 14.68 34.85 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 11' ' ' THR . 56.2 t -90.02 139.46 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 19' ' ' VAL . 39.6 t -119.27 157.44 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 18' ' ' SER . 2.3 t -155.03 124.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.66 138.63 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.69 ' CE2' HG21 ' A' ' 45' ' ' THR . 0.7 OUTLIER -141.48 128.05 20.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.957 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -89.86 112.73 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -136.83 120.13 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.442 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -88.47 96.49 10.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.213 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 22.2 p -132.41 114.27 14.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -87.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -28.44 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.082 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.41 -33.1 28.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.82 ' HB3' HG21 ' B' ' 243' ' ' VAL . 19.0 mt -54.26 -36.48 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.703 HD21 HG11 ' B' ' 243' ' ' VAL . 14.9 mt -81.74 -23.54 36.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 97.4 t -65.97 135.25 95.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.557 1.819 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.2 -38.69 77.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.082 HG21 HG22 ' A' ' 28' ' ' THR . 72.8 t -81.67 -45.54 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.47 -48.28 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.732 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.38 -49.37 77.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 9.0 mm-40 -63.29 -34.51 77.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.929 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -69.02 -48.98 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.7 HG22 ' O ' ' B' ' 229' ' ' LEU . 10.7 mm -64.12 -47.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -65.88 -44.54 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.9 t70 -57.03 -44.45 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.929 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -64.22 -53.79 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.679 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.5 t -57.43 -48.45 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.5 m120 -55.48 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.69 HG21 ' CE2' ' A' ' 21' ' ' TYR . 22.7 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 204' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.15 108.12 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.453 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 34.7 p -147.9 163.05 37.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.617 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.3 m-85 -137.02 146.54 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.9 m -122.86 108.34 12.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 1.062 HG22 HG22 ' A' ' 10' ' ' VAL . 37.6 t -103.16 111.88 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.541 HG23 ' HB3' ' B' ' 220' ' ' ASP . 0.6 OUTLIER -97.42 144.21 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.667 ' HB ' HD22 ' B' ' 242' ' ' LEU . 2.3 t -139.64 114.08 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.438 HG23 ' CA ' ' B' ' 218' ' ' SER . 51.0 m -128.14 136.58 51.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.9 m-20 -97.02 118.1 32.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 -10.86 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -79.58 -38.12 34.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.962 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -112.45 -10.33 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.93 15.38 76.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 51.8 t -82.43 125.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.438 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.4 146.32 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.417 HG23 ' C ' ' B' ' 218' ' ' SER . 73.1 t -153.26 130.79 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.541 ' HB3' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -121.98 145.79 47.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.375 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.469 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.8 m-85 -141.28 128.48 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -101.28 115.13 29.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 223' ' ' THR . . . . . 0.405 ' O ' ' N ' ' B' ' 206' ' ' TYR . 6.1 t -137.1 150.32 47.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.16 94.69 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.571 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.94 108.89 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -84.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.537 1.809 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -75.54 -28.86 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 228' ' ' THR . . . . . 0.992 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.57 -35.77 54.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.2 mt -52.0 -34.76 44.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 30.7 mt -79.67 -26.7 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.0 t -64.48 134.57 96.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.732 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -74.99 -42.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.16 -35.47 75.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 0.992 HG21 HG22 ' B' ' 228' ' ' THR . 96.9 t -81.88 -46.7 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.76 -44.06 94.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -56.64 -48.0 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.5 OUTLIER -65.74 -34.39 78.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.581 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.3 t -67.69 -48.71 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 29' ' ' LEU . 29.7 mm -65.36 -46.09 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -66.88 -41.03 87.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.6 t70 -59.99 -45.06 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.667 HD22 ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -63.13 -48.53 78.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.1 t -64.32 -43.49 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.1 m120 -56.33 -37.25 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.469 HG21 ' CE2' ' B' ' 221' ' ' TYR . 32.4 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 3.7 mptt . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.22 93.81 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 24' ' ' GLU . 69.9 p -142.77 155.61 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.619 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 3.9 m-85 -130.06 139.57 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.1 m -112.48 113.15 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 110.427 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.703 HG22 HG22 ' B' ' 210' ' ' VAL . 51.4 t -106.23 120.62 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' OD2' ' A' ' 20' ' ' ASP . 25.9 m -113.07 124.57 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.055 HG22 HG22 ' B' ' 208' ' ' VAL . 2.7 t -121.4 120.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.539 HG23 ' CA ' ' A' ' 18' ' ' SER . 59.6 m -129.19 145.33 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.511 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.602 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 1.5 m-20 -99.91 122.36 42.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.474 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -82.66 -14.99 53.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.401 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -83.28 -35.94 24.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -111.28 -10.43 14.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.31 23.14 69.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -89.97 120.12 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.539 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -104.83 143.27 33.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 18' ' ' SER . 2.4 t -153.94 124.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.554 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.2 m-85 -139.96 128.47 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -92.94 113.92 26.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -136.19 126.59 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.45 96.44 10.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.545 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.6 p -132.9 116.13 14.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -27.42 61.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.057 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.023 ' HB ' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -50.75 -25.47 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.813 ' HB3' HG21 ' B' ' 243' ' ' VAL . 13.2 mt -58.99 -41.27 87.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.449 HD21 HG11 ' B' ' 243' ' ' VAL . 5.4 mt -78.65 -25.35 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.624 HG12 ' H ' ' A' ' 34' ' ' VAL . 87.1 t -61.74 134.5 93.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.525 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.05 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.85 -36.18 76.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.023 HG11 ' HB ' ' A' ' 28' ' ' THR . 92.6 t -79.96 -44.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.625 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.94 -45.3 86.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.739 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.9 -48.9 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 12.5 tt0 -61.22 -34.5 75.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.762 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -70.18 -51.61 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.874 HD11 HD11 ' B' ' 239' ' ' ILE . 25.4 mm -61.28 -42.5 93.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -71.68 -40.84 69.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.8 t70 -59.34 -44.92 92.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.6 -51.18 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.677 HG11 HD21 ' B' ' 230' ' ' LEU . 1.5 t -60.61 -47.37 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.6 m120 -55.78 -36.6 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.608 HG21 ' CE1' ' A' ' 21' ' ' TYR . 4.8 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 204' ' ' ALA . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.01 108.05 19.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 15.9 p -147.38 166.29 27.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.602 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -137.22 143.65 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 7.9 m -112.74 108.25 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 1.055 HG22 HG22 ' A' ' 10' ' ' VAL . 34.1 t -108.73 113.9 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.501 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -104.42 147.2 27.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.703 HG22 HG22 ' A' ' 8' ' ' VAL . 2.1 t -140.36 114.34 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 54.8 m -127.44 135.53 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.619 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.6 m-20 -96.54 118.44 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 213' ' ' ASN . . . . . 0.413 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -76.89 -14.25 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -82.6 -35.25 27.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.91 -5.98 15.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 60.72 18.14 51.71 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.01 127.26 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.235 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.442 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -112.38 146.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 61.8 t -153.16 132.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.501 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -120.72 144.94 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.551 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.0 m-85 -140.36 128.33 22.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -99.68 115.11 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -137.34 151.4 48.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.425 ' HB2' HG22 ' B' ' 205' ' ' THR . 42.3 tt0 -109.04 94.85 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.524 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.97 108.59 11.68 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -83.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.8 mtm -75.69 -29.48 59.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.024 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.28 -35.63 50.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.445 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.9 mt -51.79 -32.9 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.677 HD21 HG11 ' A' ' 43' ' ' VAL . 22.1 mt -82.25 -24.77 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 96.3 t -66.36 134.37 94.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.739 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.97 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.37 -35.6 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.024 HG21 HG22 ' B' ' 228' ' ' THR . 54.3 t -82.05 -46.13 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.91 -43.63 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -57.02 -47.75 80.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.2 OUTLIER -66.87 -34.91 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.845 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.8 t -66.1 -49.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.874 HD11 HD11 ' A' ' 39' ' ' ILE . 23.4 mm -63.53 -50.82 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.25 -43.86 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.23 -45.04 88.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.845 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -63.3 -50.36 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.813 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.4 t -62.27 -45.79 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -55.58 -36.23 66.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.551 HG21 ' CE2' ' B' ' 221' ' ' TYR . 22.3 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 214' ' ' SER . 16.4 mmtt . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.429 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.36 93.85 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p -137.29 164.8 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.716 ' CG ' HD11 ' A' ' 29' ' ' LEU . 2.0 m-85 -137.96 142.35 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -114.71 109.5 18.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.533 HG22 HG22 ' B' ' 210' ' ' VAL . 29.2 t -105.29 119.62 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.7 m -116.61 124.02 48.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.182 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.967 HG22 HG22 ' B' ' 208' ' ' VAL . 4.1 t -117.43 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 17' ' ' VAL . 81.1 m -131.81 139.67 48.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.7 p30 -100.6 99.56 10.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -58.12 -15.49 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -34.61 58.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.74 -4.69 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.09 11.04 36.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 11' ' ' THR . 78.4 t -88.87 144.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' VAL . 41.1 t -120.16 159.76 24.23 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 42' ' ' LEU . 4.2 t -153.69 124.35 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.09 139.57 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 5.3 m-85 -139.97 126.74 20.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -92.78 113.32 25.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.607 1.192 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.6 t -137.97 119.56 15.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.84 95.62 10.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' HD12 ' A' ' 29' ' ' LEU . 5.7 p -133.6 115.28 13.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.08 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -90.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -28.42 60.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.996 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -53.01 -30.71 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.856 ' HB3' HG21 ' B' ' 243' ' ' VAL . 13.2 mt -52.47 -29.43 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.221 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -82.37 -30.15 30.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.535 HG23 ' HA ' ' A' ' 28' ' ' THR . 99.2 t -56.26 134.67 75.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.565 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.98 -42.27 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.65 -36.77 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.996 HG21 HG22 ' A' ' 28' ' ' THR . 37.2 t -81.47 -45.82 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.18 -48.27 79.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -56.5 -48.81 76.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 13.7 tt0 -62.88 -35.2 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.846 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.63 -45.9 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.824 HD11 HD11 ' B' ' 239' ' ' ILE . 43.4 mm -67.93 -45.08 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.77 -45.04 76.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.6 t70 -59.37 -44.21 92.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -66.26 -51.39 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.3 t -58.8 -44.39 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -36.71 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.431 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.39 107.89 19.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.5 p -148.01 160.7 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.669 ' CG ' HD11 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -135.73 146.8 48.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 96.7 m -125.56 108.3 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 0.967 HG22 HG22 ' A' ' 10' ' ' VAL . 25.0 t -103.77 114.76 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -97.3 148.28 23.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.661 ' HB ' HD22 ' B' ' 242' ' ' LEU . 2.7 t -139.79 114.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.482 HG23 ' HB3' ' B' ' 218' ' ' SER . 53.1 m -129.66 125.8 36.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 30.8 p30 -96.44 98.31 10.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.01 -16.78 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.429 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.3 p -72.6 -36.26 68.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 215' ' ' ASN . . . . . 0.416 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.9 t30 -111.46 -3.74 15.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.09 14.62 47.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 217' ' ' VAL . . . . . 0.49 ' N ' ' OD1' ' B' ' 212' ' ' ASN . 67.9 t -90.13 132.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.482 ' HB3' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -116.23 148.21 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.47 HG12 HD23 ' B' ' 242' ' ' LEU . 18.9 t -152.73 125.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.51 145.57 40.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.475 ' HE1' HG21 ' B' ' 245' ' ' THR . 4.6 m-85 -139.94 127.57 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -102.81 114.64 29.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.7 t -137.61 149.23 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.09 94.38 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.528 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.39 110.9 12.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.5 mtm -74.72 -29.47 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.006 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.51 -35.65 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.903 ' HB3' HG21 ' A' ' 43' ' ' VAL . 15.8 mt -51.87 -32.98 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.466 HD21 HG11 ' A' ' 43' ' ' VAL . 18.6 mt -82.31 -23.24 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.538 HG12 ' H ' ' B' ' 234' ' ' VAL . 94.5 t -67.16 134.85 93.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.718 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.94 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.72 -34.83 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.006 HG21 HG22 ' B' ' 228' ' ' THR . 95.8 t -82.62 -46.06 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.542 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -65.1 -46.96 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -53.88 -46.6 71.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -68.47 -35.06 77.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.605 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.9 t -68.16 -39.64 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.824 HD11 HD11 ' A' ' 39' ' ' ILE . 41.9 mm -74.92 -45.01 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -68.2 -40.34 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t70 -60.83 -45.27 95.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.661 HD22 ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -64.62 -48.56 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.856 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -62.61 -44.84 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -56.07 -36.52 68.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.475 HG21 ' HE1' ' B' ' 221' ' ' TYR . 22.5 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.468 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.58 93.68 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 24' ' ' GLU . 77.7 p -140.47 157.79 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.346 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.714 ' CG ' HD11 ' A' ' 29' ' ' LEU . 3.2 m-85 -131.33 139.66 49.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.56 108.32 17.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.526 HG22 HG22 ' B' ' 210' ' ' VAL . 71.4 t -103.39 125.37 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.566 HG23 ' OD2' ' A' ' 20' ' ' ASP . 85.9 m -120.04 123.68 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.935 HG22 HG22 ' B' ' 208' ' ' VAL . 7.0 t -121.35 119.1 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 18' ' ' SER . 41.4 m -124.77 144.62 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.589 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 0.3 OUTLIER -100.55 112.3 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.476 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.74 -14.01 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.78 -36.37 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -111.31 -1.32 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 57.46 19.08 32.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 20.5 t -90.38 130.59 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.04 146.14 38.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.473 HG12 HD23 ' A' ' 42' ' ' LEU . 2.3 t -153.36 124.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.566 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -122.68 146.52 47.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.51 128.73 23.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.33 113.68 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 t -136.52 119.76 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -89.03 96.48 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.417 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 7.1 p -133.19 115.0 13.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 -91.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -27.59 59.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.038 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -53.13 -31.22 41.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.375 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.727 ' HB3' HG21 ' B' ' 243' ' ' VAL . 14.1 mt -51.24 -30.86 18.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.077 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.87 -28.73 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' HA ' ' A' ' 28' ' ' THR . 84.9 t -58.94 134.21 87.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.04 -34.87 70.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.038 HG21 HG22 ' A' ' 28' ' ' THR . 24.2 t -81.95 -45.45 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.65 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.39 -48.12 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.76 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -56.6 -48.57 77.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 18.8 mt-10 -62.27 -34.7 77.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.996 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.91 -46.27 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.734 HG22 ' O ' ' B' ' 229' ' ' LEU . 25.8 mm -67.55 -42.69 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.87 -40.97 71.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.5 t0 -57.92 -45.27 86.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.996 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -60.54 -51.89 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.597 HG11 HD21 ' B' ' 230' ' ' LEU . 1.7 t -62.2 -46.87 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.3 m120 -55.8 -36.54 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.73 108.08 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.476 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.0 p -148.52 161.87 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.695 ' CD2' HD11 ' B' ' 229' ' ' LEU . 5.4 m-85 -137.46 141.29 41.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.5 m -114.38 108.73 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 10' ' ' VAL . 38.5 t -105.43 112.53 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.448 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -99.38 148.79 23.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.473 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.682 ' HB ' HD22 ' B' ' 242' ' ' LEU . 3.1 t -140.79 115.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' B' ' 218' ' ' SER . 57.2 m -129.12 130.52 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.447 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 25.5 p30 -96.73 100.64 12.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.595 1.185 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.46 -14.77 13.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -75.35 -35.98 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 215' ' ' ASN . . . . . 0.431 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.5 t30 -111.49 -3.33 15.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.71 14.31 43.12 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 217' ' ' VAL . . . . . 0.489 ' N ' ' OD1' ' B' ' 212' ' ' ASN . 55.4 t -89.9 129.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.416 ' HA ' ' OG1' ' B' ' 211' ' ' THR . 0.2 OUTLIER -112.45 149.93 31.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.048 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 53.9 t -151.8 128.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.448 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -116.38 145.1 43.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.687 ' HE1' HG21 ' B' ' 245' ' ' THR . 3.1 m-85 -140.55 127.73 20.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -101.19 113.86 27.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.5 t -138.49 146.27 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.77 94.43 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.529 ' O ' HD12 ' B' ' 229' ' ' LEU . 18.1 p -133.58 108.71 12.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.2 mmt -74.8 -28.88 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.08 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.81 -34.82 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.734 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.2 mt -51.64 -32.94 31.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.597 HD21 HG11 ' A' ' 43' ' ' VAL . 23.5 mt -81.62 -26.12 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.545 HG12 ' H ' ' B' ' 234' ' ' VAL . 94.7 t -64.14 133.95 95.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.76 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 -42.73 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.29 -34.92 74.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.08 HG21 HG22 ' B' ' 228' ' ' THR . 73.7 t -82.19 -45.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.552 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -54.86 -48.79 72.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.1 tt0 -67.18 -35.11 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.52 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.7 t -67.46 -42.37 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.65 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mm -72.32 -47.84 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.31 -42.48 96.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t0 -60.43 -44.68 95.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.682 HD22 ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -63.17 -46.92 84.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.9 t -66.09 -45.7 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.3 m120 -56.03 -36.37 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.687 HG21 ' HE1' ' B' ' 221' ' ' TYR . 2.3 m . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.516 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 24' ' ' GLU . . . -106.87 93.93 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.8 p -140.22 158.27 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 5.6 m-85 -137.8 140.06 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.54 HG22 ' OD1' ' A' ' 20' ' ' ASP . 17.2 m -119.24 114.45 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.676 HG22 HG22 ' B' ' 210' ' ' VAL . 37.1 t -99.22 121.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.71 HG23 ' CG ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -107.48 126.39 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.959 HG22 HG22 ' B' ' 208' ' ' VAL . 4.1 t -125.64 120.12 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 17' ' ' VAL . 83.8 m -126.62 140.25 52.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' GLY . 18.7 p30 -100.39 99.2 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.644 1.215 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.65 -16.03 9.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -34.84 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.31 -5.12 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.238 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.32 12.87 47.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 11' ' ' THR . 71.5 t -90.63 144.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 19' ' ' VAL . 46.7 t -119.55 157.75 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 18' ' ' SER . 2.3 t -154.85 124.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.71 ' CG ' HG23 ' A' ' 9' ' ' THR . 1.8 t0 -115.79 145.19 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.632 ' HE1' HG21 ' A' ' 45' ' ' THR . 3.2 m-85 -139.84 127.31 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.24 111.87 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 t -137.33 131.48 32.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 4' ' ' ALA . 28.1 tt0 -89.29 94.95 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.5 p -134.57 113.23 11.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.45 1.763 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.74 -27.6 61.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.076 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.94 -24.96 7.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.651 ' O ' HG22 ' B' ' 239' ' ' ILE . 17.5 mt -60.16 -38.72 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD21 HG11 ' B' ' 243' ' ' VAL . 8.2 mt -79.84 -23.77 41.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 34' ' ' VAL . 78.3 t -63.52 136.63 96.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.07 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.91 -35.88 73.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.076 HG21 HG22 ' A' ' 28' ' ' THR . 23.4 t -82.06 -44.59 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.645 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.747 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.59 -49.68 76.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 10.3 mm-40 -62.03 -34.54 76.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.819 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -69.21 -48.02 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.689 HG22 ' O ' ' B' ' 229' ' ' LEU . 15.3 mm -65.99 -45.27 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.52 -44.42 78.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t70 -58.53 -44.34 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -66.3 -50.95 61.91 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.823 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.4 t -59.24 -45.66 92.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -37.31 67.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.632 HG21 ' HE1' ' A' ' 21' ' ' TYR . 65.7 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -101.92 107.59 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.454 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.4 p -147.4 160.37 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 12' ' ' ASN . 6.2 m-85 -137.73 141.89 41.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 98.8 m -118.32 109.15 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 0.959 HG22 HG22 ' A' ' 10' ' ' VAL . 50.7 t -100.46 122.26 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.42 HG23 ' HA ' ' B' ' 220' ' ' ASP . 1.9 m -109.54 148.3 31.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 110.381 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.676 HG22 HG22 ' A' ' 8' ' ' VAL . 2.3 t -139.65 114.81 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.5 HG23 ' O ' ' B' ' 217' ' ' VAL . 51.9 m -125.54 132.04 52.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -97.59 104.41 16.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 213' ' ' ASN . . . . . 0.42 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -63.09 -12.53 27.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -80.97 -35.18 32.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.078 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 215' ' ' ASN . . . . . 0.425 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.6 t30 -110.96 -0.72 16.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 58.2 15.08 21.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 217' ' ' VAL . . . . . 0.5 ' O ' HG23 ' B' ' 211' ' ' THR . 79.1 t -90.25 145.33 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.466 ' O ' HG23 ' B' ' 219' ' ' VAL . 44.0 t -126.39 155.54 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 218' ' ' SER . 38.9 t -154.17 124.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.42 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -113.53 143.39 44.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.3 m-85 -140.07 127.78 21.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.593 1.183 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.18 113.65 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.8 t -138.32 145.84 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.442 ' HB3' HG22 ' B' ' 205' ' ' THR . 0.0 OUTLIER -104.95 93.95 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.469 ' O ' HD12 ' B' ' 229' ' ' LEU . 2.2 p -135.03 110.29 10.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -83.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -29.59 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.057 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.66 -36.15 45.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.823 HD13 ' CG2' ' A' ' 43' ' ' VAL . 17.5 mt -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.63 -24.83 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 71.8 t -66.82 134.0 94.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.747 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.0 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.519 1.8 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.68 -34.29 72.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.057 HG21 HG22 ' B' ' 228' ' ' THR . 68.1 t -82.81 -46.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.43 -42.91 91.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.528 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.53 -47.73 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 40.8 mt-10 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.577 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.8 t -66.31 -51.96 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 29' ' ' LEU . 20.4 mm -60.4 -51.23 75.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -62.61 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.4 t0 -57.26 -45.38 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.577 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -62.18 -50.61 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.0 t -62.43 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 244' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.31 -36.72 69.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.443 HG21 ' CE2' ' B' ' 221' ' ' TYR . 31.6 m . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.54 4.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.1 p -143.65 161.08 39.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.468 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.784 ' CD2' HD11 ' A' ' 29' ' ' LEU . 7.0 m-85 -135.93 138.82 42.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.9 m -111.88 109.69 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.672 HG22 HG22 ' B' ' 210' ' ' VAL . 73.4 t -102.23 128.13 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' OD2' ' A' ' 20' ' ' ASP . 16.8 m -120.45 123.49 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.076 HG22 HG22 ' B' ' 208' ' ' VAL . 3.4 t -120.89 120.21 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.452 HG23 ' CA ' ' A' ' 18' ' ' SER . 54.5 m -128.1 144.11 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.9 OUTLIER -99.24 122.06 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.4 m-80 -82.16 -15.93 51.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.412 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -82.79 -35.57 26.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -110.78 -10.98 14.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.44 22.55 69.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 t -90.44 122.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.452 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.1 OUTLIER -108.8 141.41 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 18' ' ' SER . 2.2 t -152.54 124.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.554 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.92 145.77 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.804 ' CE1' HG21 ' A' ' 45' ' ' THR . 2.0 m-85 -140.1 128.15 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -89.2 113.19 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -137.56 122.88 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.39 96.8 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.539 ' O ' HD12 ' A' ' 29' ' ' LEU . 29.9 p -132.97 111.83 13.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -85.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mtm -73.19 -29.41 62.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.02 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.85 -35.44 44.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.784 HD11 ' CD2' ' A' ' 6' ' ' TYR . 15.4 mt -51.85 -32.88 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.183 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.26 -24.01 30.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 34' ' ' VAL . 88.3 t -66.36 135.86 94.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.98 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.31 -35.17 73.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.02 HG21 HG22 ' A' ' 28' ' ' THR . 78.3 t -82.56 -45.07 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.642 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.92 -47.64 82.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.766 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.22 -48.22 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.608 1.192 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -61.52 -34.87 76.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.862 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.73 -49.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.837 HD11 HD11 ' B' ' 239' ' ' ILE . 22.9 mm -63.44 -45.06 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -69.07 -40.5 78.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.6 t70 -57.87 -45.18 86.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.862 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -62.4 -53.77 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.827 HG11 HD21 ' B' ' 230' ' ' LEU . 1.4 t -58.78 -47.53 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.5 m120 -55.58 -36.25 66.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.804 HG21 ' CE1' ' A' ' 21' ' ' TYR . 2.8 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 204' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -101.85 107.58 18.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.4 p -147.75 162.23 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.509 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 3.9 m-85 -136.64 141.81 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.4 m -112.86 108.37 17.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.351 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 10' ' ' VAL . 46.8 t -105.95 115.86 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.502 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.4 m -104.62 146.46 28.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 8' ' ' VAL . 2.1 t -139.86 114.1 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' B' ' 218' ' ' SER . 7.9 m -123.5 135.08 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.2 m-20 -96.15 117.83 31.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 213' ' ' ASN . . . . . 0.494 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -77.53 -14.64 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 1.5 t -82.15 -35.83 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.34 -5.29 15.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.39 1.056 . . . . 0.0 109.24 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.66 20.06 50.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 53.0 t -90.76 130.16 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 219' ' ' VAL . 0.1 OUTLIER -110.73 147.18 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 218' ' ' SER . 38.5 t -153.16 128.83 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.502 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -119.38 145.33 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.22 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -140.96 127.51 20.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -101.68 114.51 28.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.6 t -138.21 151.11 47.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.466 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.429 ' HB3' HG22 ' B' ' 205' ' ' THR . 0.0 OUTLIER -106.6 94.34 5.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.585 ' O ' HD12 ' B' ' 229' ' ' LEU . 24.9 p -133.77 108.43 11.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.45 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -83.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -74.78 -28.66 60.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.021 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.14 -37.68 55.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.472 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 39' ' ' ILE . 18.9 mt -52.53 -36.66 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 43' ' ' VAL . 26.0 mt -78.83 -23.99 44.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.2 t -69.1 135.75 89.36 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.766 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.0 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.99 -34.67 73.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.021 HG21 HG22 ' B' ' 228' ' ' THR . 48.5 t -82.4 -46.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.554 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.56 -45.34 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.543 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -54.56 -47.74 72.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 47.0 mt-10 -66.95 -35.19 79.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.726 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.04 -50.11 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.837 HD11 HD11 ' A' ' 39' ' ' ILE . 20.9 mm -63.47 -51.24 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 1.8 tmtt? -61.57 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.0 t70 -58.82 -45.3 90.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.726 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -62.31 -51.84 66.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.751 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.6 t -61.49 -44.68 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -55.68 -36.57 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.85 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.471 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 73.1 p -142.04 157.84 44.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.774 ' CD2' HD11 ' A' ' 29' ' ' LEU . 6.3 m-85 -132.22 138.25 47.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -111.74 115.98 29.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.731 HG22 HG22 ' B' ' 210' ' ' VAL . 75.7 t -108.81 133.01 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 95.8 m -127.22 132.78 50.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.082 HG22 HG22 ' B' ' 208' ' ' VAL . 2.5 t -125.82 123.77 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 17' ' ' VAL . 73.0 m -126.23 140.3 52.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.616 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.88 99.51 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -58.67 -15.53 12.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -71.38 -35.96 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 3.3 t30 -112.3 -10.57 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 72.0 11.19 74.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 11' ' ' THR . 73.6 t -88.28 145.3 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 19' ' ' VAL . 42.0 t -120.79 160.04 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 18' ' ' SER . 2.5 t -153.96 124.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.33 140.28 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.852 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.9 m-85 -141.03 128.45 21.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -87.13 112.96 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 23' ' ' THR . 10.5 t -137.64 117.33 13.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.7 pt-20 -89.39 96.58 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.1 p -131.73 116.3 15.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 0.0 110.39 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -88.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mmm -74.08 -28.98 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.024 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.1 -28.61 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.328 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.774 HD11 ' CD2' ' A' ' 6' ' ' TYR . 20.5 mt -57.86 -35.55 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.645 HD21 HG11 ' B' ' 243' ' ' VAL . 12.2 mt -82.9 -23.41 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 34' ' ' VAL . 69.5 t -64.37 134.81 96.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.87 -43.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.75 -37.15 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.626 1.203 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.024 HG21 HG22 ' A' ' 28' ' ' THR . 84.4 t -81.19 -44.92 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.35 -46.52 88.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.728 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.61 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 5.4 mt-10 -62.41 -34.27 76.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.619 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -70.1 -52.18 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.699 HG22 ' O ' ' B' ' 229' ' ' LEU . 33.5 mm -59.93 -43.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.82 -43.02 69.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.7 t70 -57.7 -44.66 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -62.79 -51.0 68.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.546 HG11 HD21 ' B' ' 230' ' ' LEU . 1.3 t -62.01 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.3 m120 -56.18 -35.62 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.852 HG21 ' CE1' ' A' ' 21' ' ' TYR . 1.8 m . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.78 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -147.59 160.58 42.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.066 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.499 ' CD2' HD11 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -137.34 146.49 44.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.8 m -123.24 107.8 12.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 1.082 HG22 HG22 ' A' ' 10' ' ' VAL . 31.5 t -101.56 117.44 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.575 HG23 ' CB ' ' B' ' 220' ' ' ASP . 0.9 OUTLIER -102.75 144.55 30.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 8' ' ' VAL . 2.5 t -140.68 114.73 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.456 HG23 ' CA ' ' B' ' 218' ' ' SER . 52.7 m -128.32 138.13 52.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.614 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.5 m-20 -96.94 121.92 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 213' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -79.42 -15.9 57.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -83.02 -34.99 26.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.16 -8.45 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.23 16.2 53.1 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 53.1 t -86.95 125.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.468 ' O ' HG23 ' B' ' 219' ' ' VAL . 0.1 OUTLIER -111.25 145.43 38.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 218' ' ' SER . 4.6 t -152.88 126.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.575 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.48 146.24 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.412 ' CE2' HG21 ' B' ' 245' ' ' THR . 1.6 m-85 -140.98 128.28 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -100.14 115.61 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.4 t -137.71 148.71 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.34 94.84 5.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.518 ' O ' HD12 ' B' ' 229' ' ' LEU . 30.2 p -134.5 111.71 11.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -87.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.5 mmt -74.13 -28.5 61.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.074 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.18 -32.59 36.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.402 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 39' ' ' ILE . 18.7 mt -55.65 -35.92 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.546 HD21 HG11 ' A' ' 43' ' ' VAL . 23.4 mt -78.6 -25.1 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 89.0 t -65.07 134.33 95.97 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.728 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.06 -40.55 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.96 -36.07 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.074 HG21 HG22 ' B' ' 228' ' ' THR . 39.2 t -82.22 -45.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.87 -45.75 84.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.23 -48.16 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.4 OUTLIER -66.71 -35.16 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.887 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.0 OUTLIER -66.54 -50.99 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 29' ' ' LEU . 37.7 mm -61.79 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.38 -43.75 98.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.4 t70 -57.7 -45.23 85.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.887 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -61.96 -52.34 64.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.74 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.4 t -61.21 -44.4 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 244' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.62 -38.74 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.412 HG21 ' CE2' ' B' ' 221' ' ' TYR . 53.9 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 4.4 mptt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.86 93.71 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 53.2 p -137.63 155.99 48.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' B' ' 212' ' ' ASN . 13.8 m-85 -135.15 139.16 44.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.395 1.059 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.767 HG22 ' OD1' ' A' ' 20' ' ' ASP . 54.3 m -115.96 117.02 28.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.5 128.64 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.474 HG23 ' CG ' ' A' ' 20' ' ' ASP . 2.0 m -119.57 123.76 44.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.95 HG22 HG22 ' B' ' 208' ' ' VAL . 4.2 t -121.69 118.64 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.764 HG23 ' O ' ' A' ' 17' ' ' VAL . 80.1 m -122.17 140.88 52.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 15.1 p30 -100.58 99.16 9.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.56 -15.33 6.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -76.4 -35.03 58.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.19 -3.93 15.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.9 12.09 34.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 11' ' ' THR . 75.7 t -89.57 143.99 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 48.0 t -120.05 157.91 27.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 18' ' ' SER . 37.1 t -154.38 128.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.767 ' OD1' HG22 ' A' ' 7' ' ' THR . 1.2 t0 -120.11 145.41 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.722 ' HE1' HG21 ' A' ' 45' ' ' THR . 3.5 m-85 -140.23 126.97 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -90.02 112.24 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -138.36 121.86 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -88.83 95.38 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.362 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.418 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 4.2 p -133.65 115.44 13.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.45 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -88.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -29.1 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.997 HG22 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -50.84 -22.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.416 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.711 ' O ' HG22 ' B' ' 239' ' ' ILE . 19.6 mt -61.49 -33.66 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 HG11 ' B' ' 243' ' ' VAL . 10.8 mt -82.68 -25.73 32.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.67 HG12 ' H ' ' A' ' 34' ' ' VAL . 73.5 t -59.6 133.34 88.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.0 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.94 -38.0 78.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.997 HG21 HG22 ' A' ' 28' ' ' THR . 84.3 t -79.84 -43.59 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.616 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.6 -44.9 92.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.758 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.99 -49.41 77.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -63.24 -34.82 78.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.878 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.3 t -68.8 -46.75 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.686 HG22 ' O ' ' B' ' 229' ' ' LEU . 29.2 mm -67.38 -46.03 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -66.55 -43.78 84.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 12.6 t70 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.878 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -66.13 -50.29 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.866 HG21 ' HB3' ' B' ' 229' ' ' LEU . 2.0 t -59.31 -45.36 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 1.2 m-80 -55.76 -37.45 68.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.722 HG21 ' HE1' ' A' ' 21' ' ' TYR . 12.7 m . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.82 108.32 19.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.542 HG22 ' HB2' ' B' ' 224' ' ' GLU . 16.5 p -147.08 164.31 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.571 ' CD2' HD11 ' B' ' 229' ' ' LEU . 1.7 m-85 -137.83 146.61 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 71.4 m -124.83 108.32 11.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 0.95 HG22 HG22 ' A' ' 10' ' ' VAL . 73.1 t -98.12 124.28 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 1.4 m -108.1 148.86 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.443 ' HB ' HD22 ' B' ' 242' ' ' LEU . 1.6 t -138.98 113.13 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.589 HG23 ' HB2' ' B' ' 218' ' ' SER . 21.2 m -123.14 130.17 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.0 OUTLIER -98.19 99.26 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 213' ' ' ASN . . . . . 0.457 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -59.22 -14.06 9.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -79.85 -34.44 39.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.022 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -110.51 -4.47 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.83 12.29 34.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 217' ' ' VAL . . . . . 0.454 ' HB ' ' ND2' ' B' ' 212' ' ' ASN . 71.9 t -90.03 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.589 ' HB2' HG23 ' B' ' 211' ' ' THR . 47.6 t -124.41 156.2 37.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 218' ' ' SER . 15.3 t -154.61 125.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.192 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.44 143.16 45.71 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.808 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.4 m-85 -139.93 128.55 23.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -102.83 114.68 29.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.0 t -138.25 142.14 39.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.542 ' HB2' HG22 ' B' ' 205' ' ' THR . 29.2 tt0 -97.63 95.1 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.508 ' O ' HD12 ' B' ' 229' ' ' LEU . 14.4 p -134.87 110.15 10.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.445 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.0 mtm -75.12 -28.23 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.062 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.48 -38.03 51.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.866 ' HB3' HG21 ' A' ' 43' ' ' VAL . 27.7 mt -52.48 -36.99 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 28.7 mt -79.36 -24.01 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 62.9 t -68.63 136.1 90.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.758 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.03 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.04 -34.99 74.14 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.062 HG21 HG22 ' B' ' 228' ' ' THR . 93.7 t -82.43 -46.57 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.562 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.508 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.23 -48.09 77.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -66.47 -35.53 80.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.711 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.33 -48.66 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 29' ' ' LEU . 25.8 mm -64.55 -50.57 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.8 t70 -58.18 -46.12 86.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.711 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -60.43 -49.92 75.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.1 t -63.8 -47.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.3 m120 -55.6 -36.92 67.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.808 HG21 ' HE1' ' B' ' 221' ' ' TYR . 1.6 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.36 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.52 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 1.4 mptt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' GLU . . . -106.09 93.79 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.7 p -145.13 161.51 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.435 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' B' ' 212' ' ' ASN . 1.4 m-85 -137.64 142.77 41.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -113.85 108.24 16.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.853 HG22 HG22 ' B' ' 210' ' ' VAL . 49.5 t -103.63 112.6 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.664 HG23 ' OD1' ' A' ' 20' ' ' ASP . 94.7 m -107.45 123.65 48.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.893 HG22 ' CG2' ' B' ' 208' ' ' VAL . 4.2 t -120.73 123.04 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.536 HG23 ' CA ' ' A' ' 18' ' ' SER . 71.7 m -130.43 145.04 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.3 m-20 -99.3 122.37 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -80.32 -17.11 53.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -83.86 -35.79 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -110.91 -3.14 15.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.97 23.26 30.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 11' ' ' THR . 5.4 t -89.91 120.66 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.536 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -106.0 141.64 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 18' ' ' SER . 2.0 t -152.82 124.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.664 ' OD1' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.71 146.46 43.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 1.061 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.79 ' HE1' HG21 ' A' ' 45' ' ' THR . 2.2 m-85 -140.29 128.04 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.58 112.75 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -138.57 127.24 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 24' ' ' GLU . 4.1 tp10 -89.06 96.78 10.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.8 p -133.95 112.34 12.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -86.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -27.5 61.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.007 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.41 -30.62 30.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.869 ' HB3' HG21 ' B' ' 243' ' ' VAL . 21.1 mt -57.65 -36.79 72.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD21 HG11 ' B' ' 243' ' ' VAL . 24.2 mt -78.11 -28.5 48.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 34' ' ' VAL . 90.1 t -59.81 134.28 89.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.95 -40.69 85.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.007 HG21 HG22 ' A' ' 28' ' ' THR . 92.4 t -76.76 -44.12 33.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.8 -45.67 92.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.53 -48.73 80.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.68 -34.64 76.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.791 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -69.87 -52.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.735 HG22 ' O ' ' B' ' 229' ' ' LEU . 14.3 mm -60.73 -43.17 94.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.98 -41.24 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 4.9 t70 -57.1 -45.29 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -62.53 -53.1 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.878 HG11 HD21 ' B' ' 230' ' ' LEU . 1.3 t -60.24 -44.14 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.4 m120 -56.49 -37.72 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.79 HG21 ' HE1' ' A' ' 21' ' ' TYR . 16.2 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 204' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.47 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.55 HG22 ' HB3' ' B' ' 224' ' ' GLU . 8.4 p -147.61 166.13 28.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.741 ' CG ' HD11 ' B' ' 229' ' ' LEU . 3.1 m-85 -137.18 142.16 42.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.0 m -113.23 107.28 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 0.893 ' CG2' HG22 ' A' ' 10' ' ' VAL . 53.4 t -111.25 114.47 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.462 HG23 ' O ' ' B' ' 219' ' ' VAL . 30.1 m -108.49 155.67 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.853 HG22 HG22 ' A' ' 8' ' ' VAL . 2.7 t -139.8 115.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 67.8 m -116.17 128.07 55.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.455 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' B' ' 215' ' ' ASN . 5.0 t30 -96.27 107.5 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.47 -13.74 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.563 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 1.6 t -67.25 -41.3 85.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.078 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 215' ' ' ASN . . . . . 0.632 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 5.6 t-20 -118.76 -4.8 10.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 73.07 20.27 79.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 217' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' B' ' 212' ' ' ASN . 2.1 t -82.32 146.04 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.583 ' O ' HG23 ' B' ' 219' ' ' VAL . 40.2 t -128.99 152.12 48.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 218' ' ' SER . 2.8 t -156.58 131.99 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.2 142.97 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -140.87 128.11 20.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.09 114.95 29.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 14.6 t -138.37 137.45 37.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.341 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.55 ' HB3' HG22 ' B' ' 205' ' ' THR . 2.7 pt-20 -89.25 94.07 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.563 ' O ' HD12 ' B' ' 229' ' ' LEU . 34.5 p -134.72 108.32 10.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.438 1.757 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.2 -28.72 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.063 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.25 -37.49 47.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.741 HD11 ' CG ' ' B' ' 206' ' ' TYR . 18.1 mt -52.11 -36.32 50.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.878 HD21 HG11 ' A' ' 43' ' ' VAL . 16.1 mt -81.03 -23.88 38.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 95.1 t -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.779 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.0 -43.34 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.58 -35.17 73.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.063 HG21 HG22 ' B' ' 228' ' ' THR . 75.4 t -82.31 -46.34 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.03 -43.49 92.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.518 ' CB ' ' HB3' ' A' ' 32' ' ' PRO . . . -55.93 -48.33 75.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 29.3 mt-10 -67.16 -35.81 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.944 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.9 t -66.36 -47.46 84.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.724 HG22 ' O ' ' A' ' 29' ' ' LEU . 16.3 mm -65.27 -51.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.41 -42.2 99.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -58.37 -44.69 88.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.944 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -64.9 -52.31 57.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.869 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.4 t -59.32 -43.41 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -56.47 -36.69 69.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 46.7 m . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.501 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.45 93.51 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 66.6 p -144.75 164.88 29.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 2.4 m-85 -137.2 142.25 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m -115.81 113.7 23.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.339 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 HG22 ' B' ' 210' ' ' VAL . 54.2 t -105.92 126.06 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.69 HG23 ' OD1' ' A' ' 20' ' ' ASP . 7.2 m -119.86 124.35 45.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.041 HG22 HG22 ' B' ' 208' ' ' VAL . 12.2 t -123.26 124.32 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 17' ' ' VAL . 90.2 m -129.08 141.53 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.3 p30 -100.21 99.07 9.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.458 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -57.37 -16.69 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -34.9 60.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -110.71 -5.03 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.78 13.07 37.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 11' ' ' THR . 76.1 t -90.31 140.84 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -116.67 151.64 35.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.931 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.589 HG12 HD23 ' A' ' 42' ' ' LEU . 2.8 t -152.32 124.15 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.69 ' OD1' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -122.66 144.96 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.771 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.4 m-85 -140.09 127.76 21.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.31 113.89 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 t -136.56 126.74 26.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.03 95.98 10.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.3 p -134.16 114.21 12.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -89.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -27.49 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.072 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.19 -20.88 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.659 ' O ' HG22 ' B' ' 239' ' ' ILE . 18.0 mt -63.05 -36.21 82.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mt -80.47 -23.78 39.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 ' H ' ' A' ' 34' ' ' VAL . 79.2 t -61.85 134.74 94.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.522 ' HA ' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.01 -43.05 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.19 -42.3 90.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.072 HG21 HG22 ' A' ' 28' ' ' THR . 73.3 t -74.35 -44.6 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.82 -47.59 82.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.735 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.5 -48.83 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 6.2 mt-10 -61.32 -34.11 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 HD12 ' A' ' 42' ' ' LEU . 1.1 t -70.35 -52.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.778 HG22 ' O ' ' B' ' 229' ' ' LEU . 28.4 mm -59.56 -43.25 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.198 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -71.19 -40.9 70.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.9 t70 -59.81 -45.33 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.773 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -62.08 -49.2 76.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.618 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.8 t -64.05 -46.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.5 m120 -56.13 -36.1 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.196 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.771 HG21 ' CE1' ' A' ' 21' ' ' TYR . 98.5 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.34 108.19 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.2 p -147.8 160.02 43.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.659 ' CG ' HD11 ' B' ' 229' ' ' LEU . 1.0 OUTLIER -134.22 145.74 49.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 111.05 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.0 m -121.19 108.68 14.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 1.041 HG22 HG22 ' A' ' 10' ' ' VAL . 53.6 t -103.74 126.45 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.588 HG23 ' HA ' ' B' ' 220' ' ' ASP . 2.5 m -115.58 150.2 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.592 HG23 HD22 ' B' ' 242' ' ' LEU . 1.7 t -140.4 114.48 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.488 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 6.1 m -119.98 131.0 55.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.58 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -96.63 98.56 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 213' ' ' ASN . . . . . 0.499 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -59.64 -14.59 14.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -79.75 -34.93 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 215' ' ' ASN . . . . . 0.414 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.4 t30 -110.72 -1.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.18 14.19 24.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 217' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 215' ' ' ASN . 77.1 t -90.02 144.28 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.488 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 40.3 t -131.2 150.05 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' B' ' 221' ' ' TYR . 15.1 t -153.75 130.93 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.588 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -110.87 147.81 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.698 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 7.1 m-85 -137.49 125.24 22.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -100.45 113.58 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -139.52 145.13 38.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.07 95.22 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.532 ' O ' HD12 ' B' ' 229' ' ' LEU . 18.6 p -134.36 110.33 11.53 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -84.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.05 -29.18 60.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.076 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.23 -35.06 48.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.778 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.5 mt -52.33 -33.46 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.476 HD21 HG11 ' A' ' 43' ' ' VAL . 19.4 mt -83.46 -24.05 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.56 HG12 ' H ' ' B' ' 234' ' ' VAL . 90.0 t -65.26 132.78 95.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.735 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.06 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -59.58 -37.05 77.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.076 HG21 HG22 ' B' ' 228' ' ' THR . 45.6 t -81.69 -47.26 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.549 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -62.8 -45.2 93.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.28 -46.8 79.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.8 tt0 -67.53 -35.61 79.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.891 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.3 t -65.91 -54.44 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.739 HD11 HD11 ' A' ' 39' ' ' ILE . 19.9 mm -57.62 -51.05 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.04 -44.83 94.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.7 t70 -57.93 -44.08 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.891 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -58.46 -50.01 75.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.14 -47.01 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.488 HG21 ' CE2' ' B' ' 221' ' ' TYR . 2.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.524 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.69 93.69 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 24' ' ' GLU . 64.9 p -140.25 159.82 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.702 ' CD2' HD11 ' A' ' 29' ' ' LEU . 4.2 m-85 -137.15 142.05 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 m -113.14 109.73 19.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.817 HG22 HG22 ' B' ' 210' ' ' VAL . 47.0 t -107.38 115.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' CA ' ' A' ' 20' ' ' ASP . 85.6 m -114.91 138.15 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.042 HG22 HG22 ' B' ' 208' ' ' VAL . 18.6 t -127.96 131.11 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' VAL . 52.5 m -133.42 142.17 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.12 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.624 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.5 m-20 -100.73 109.39 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -68.45 -13.53 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.9 OUTLIER -82.76 -34.76 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.18 -2.95 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 59.61 13.94 26.32 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 11' ' ' THR . 61.6 t -88.17 140.76 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.417 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 41.5 t -120.34 157.52 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG12 HD23 ' A' ' 42' ' ' LEU . 1.2 t -155.35 125.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.418 ' CA ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -118.09 140.65 49.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CE2' HG21 ' A' ' 45' ' ' THR . 1.8 m-85 -140.92 128.09 20.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -96.31 112.4 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -137.79 124.26 20.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HB3' HG22 ' A' ' 5' ' ' THR . 5.2 pm0 -89.19 95.77 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.49 ' O ' HD12 ' A' ' 29' ' ' LEU . 1.5 p -132.96 113.81 13.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -86.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.839 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.95 -37.15 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.73 ' O ' HG22 ' B' ' 239' ' ' ILE . 17.7 mt -51.63 -32.31 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.42 -25.93 30.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 34' ' ' VAL . 89.6 t -63.24 136.16 96.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.01 -42.08 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.45 -36.42 75.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.839 HG21 HG22 ' A' ' 28' ' ' THR . 41.7 t -82.29 -44.95 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.33 -46.81 84.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.729 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.59 -49.65 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.1 mt-10 -62.78 -35.32 79.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.943 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -68.07 -51.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.583 ' HB ' ' HB1' ' B' ' 235' ' ' ALA . 1.3 mm -61.36 -48.22 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -65.09 -43.86 90.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.608 1.192 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.5 t0 -57.77 -44.5 86.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.943 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -63.81 -54.25 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.662 ' CG2' HD13 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -58.17 -46.4 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.5 m120 -55.45 -36.66 66.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.527 HG21 ' CE2' ' A' ' 21' ' ' TYR . 78.6 m . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.388 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 204' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.68 108.4 19.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.44 165.72 30.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.56 1.163 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.624 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.4 m-85 -136.9 146.69 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 93.5 m -124.23 109.27 13.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 1.042 HG22 HG22 ' A' ' 10' ' ' VAL . 55.8 t -103.32 126.62 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 4.2 m -113.39 148.64 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.817 HG22 HG22 ' A' ' 8' ' ' VAL . 2.0 t -140.41 114.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 55.1 m -119.49 131.75 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.379 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.9 m-20 -97.35 98.99 10.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 213' ' ' ASN . . . . . 0.48 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.89 -12.46 17.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -73.75 -39.43 64.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -113.61 -6.39 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.88 11.36 73.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.593 1.183 . . . . 0.0 111.076 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 42.4 t -81.33 142.84 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.463 ' C ' ' CG2' ' B' ' 219' ' ' VAL . 46.7 t -132.43 149.68 52.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.463 ' CG2' ' C ' ' B' ' 218' ' ' SER . 5.8 t -153.85 138.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.476 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -116.89 148.4 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.711 ' CE1' HD23 ' B' ' 242' ' ' LEU . 3.6 m-85 -137.39 125.58 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -101.77 112.39 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 4.8 t -138.15 151.81 48.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 2.0 tm-20 -109.23 93.16 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.515 ' O ' HD12 ' B' ' 229' ' ' LEU . 3.2 p -134.88 108.93 10.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 226' ' ' PRO . . . . . 0.481 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.1 Cg_endo -75.1 -83.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 227' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.75 -30.07 62.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 228' ' ' THR . . . . . 0.968 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.72 -33.32 34.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.662 HD13 ' CG2' ' A' ' 43' ' ' VAL . 17.1 mt -55.72 -41.43 73.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.31 -24.53 60.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.6 t -66.75 135.0 94.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.729 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.09 -42.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.528 1.804 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.29 -34.23 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 0.968 HG21 HG22 ' B' ' 228' ' ' THR . 97.7 t -82.15 -47.03 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.583 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.19 -44.11 89.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.78 -46.75 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 19.2 mt-10 -67.08 -35.72 80.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.881 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.8 t -66.38 -54.65 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.73 HG22 ' O ' ' A' ' 29' ' ' LEU . 17.4 mm -57.01 -51.3 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -63.24 -44.52 94.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.3 t70 -57.88 -44.29 86.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.881 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -58.93 -51.8 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 29' ' ' LEU . 1.6 t -65.84 -44.92 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -56.43 -37.36 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.417 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 2.1 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.62 93.61 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 24' ' ' GLU . 56.0 p -140.5 158.27 44.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.708 ' CD2' HD11 ' A' ' 29' ' ' LEU . 8.6 m-85 -136.57 139.47 42.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -114.06 113.83 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.768 HG22 HG22 ' B' ' 210' ' ' VAL . 55.7 t -104.18 120.82 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 24.8 m -112.78 130.64 56.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.011 HG22 HG22 ' B' ' 208' ' ' VAL . 2.7 t -125.72 119.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.537 HG23 ' CA ' ' A' ' 18' ' ' SER . 59.7 m -124.16 142.04 51.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.648 ' O ' ' N ' ' A' ' 16' ' ' GLY . 4.9 m-20 -99.66 99.01 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.459 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -61.17 -14.31 24.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.1 p -82.26 -36.27 27.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 t30 -111.15 2.13 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.79 17.46 9.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.382 1.051 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 15' ' ' ASN . 46.5 t -90.43 120.28 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.537 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -102.53 151.83 21.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.025 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 18' ' ' SER . 2.6 t -153.47 126.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -121.91 141.1 51.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.641 ' CE2' HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -141.3 128.85 21.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.57 113.66 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.4 t -136.64 121.36 18.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.592 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER -89.43 96.9 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.507 ' O ' HD12 ' A' ' 29' ' ' LEU . 12.6 p -132.42 113.68 14.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.54 -28.8 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.017 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.16 -32.21 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.761 ' O ' HG22 ' B' ' 239' ' ' ILE . 15.0 mt -53.24 -31.55 43.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.71 -29.23 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.628 HG12 ' H ' ' A' ' 34' ' ' VAL . 76.9 t -57.77 134.58 83.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.96 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.39 -37.82 78.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.017 HG21 HG22 ' A' ' 28' ' ' THR . 98.8 t -79.34 -44.05 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.622 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.73 -45.23 90.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.734 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -60.61 -49.87 75.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 27.7 mt-10 -62.94 -33.66 75.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.909 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.3 t -70.44 -47.75 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.635 HG22 ' O ' ' B' ' 229' ' ' LEU . 8.5 mm -66.18 -42.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -70.54 -44.46 67.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.8 t70 -57.07 -45.44 83.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.07 -53.42 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.5 t -57.7 -47.78 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.3 m120 -56.52 -35.19 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.641 HG21 ' CE2' ' A' ' 21' ' ' TYR . 5.6 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.389 1.056 . . . . 0.0 110.409 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 204' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.15 107.91 19.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 45.1 p -147.94 165.8 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.62 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -135.44 145.84 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.6 m -116.71 106.73 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 1.011 HG22 HG22 ' A' ' 10' ' ' VAL . 55.6 t -105.24 117.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.476 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.7 m -109.32 146.32 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.768 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 t -140.02 113.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 40.8 m -125.18 132.56 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.6 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -96.48 112.73 24.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 213' ' ' ASN . . . . . 0.419 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -71.44 -14.49 62.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -82.76 -35.97 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -110.45 0.64 17.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 53.64 19.48 9.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.419 1.075 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.83 120.19 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.489 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.45 138.63 47.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.654 HG12 ' CE1' ' B' ' 221' ' ' TYR . 17.2 t -149.31 137.57 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.528 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -117.91 149.15 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.763 ' CD1' HD23 ' B' ' 242' ' ' LEU . 3.2 m-85 -138.06 126.01 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.37 113.32 26.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.8 148.67 44.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.25 94.26 5.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 1.8 p -134.59 111.49 11.52 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 110.459 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -85.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 36.5 mmt -73.7 -28.67 61.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 228' ' ' THR . . . . . 0.852 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.02 -36.45 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 39' ' ' ILE . 26.6 mt -53.89 -37.67 63.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.28 -26.46 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 61.3 t -65.07 134.06 95.89 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.734 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.05 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.24 -34.95 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 0.852 HG21 HG22 ' B' ' 228' ' ' THR . 87.7 t -81.7 -45.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.594 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -66.18 -42.53 88.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -57.6 -48.28 79.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 2.5 tt0 -66.51 -35.43 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.94 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.5 t -66.11 -55.18 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 29' ' ' LEU . 17.3 mm -57.1 -51.04 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.98 -43.9 97.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.7 t70 -57.35 -44.56 84.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.94 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -59.15 -52.79 64.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.57 HG21 HD13 ' A' ' 29' ' ' LEU . 2.1 t -64.22 -45.2 96.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -55.95 -38.73 70.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.47 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 1.3 m . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.508 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.19 93.85 4.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.3 p -138.92 155.42 48.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 7.1 m-85 -133.38 136.78 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.588 HG22 ' OD1' ' A' ' 20' ' ' ASP . 15.6 m -113.75 115.32 27.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 HG22 ' B' ' 210' ' ' VAL . 54.9 t -100.6 124.38 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.519 HG23 ' CB ' ' A' ' 20' ' ' ASP . 2.0 m -114.37 133.19 55.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.945 HG22 HG22 ' B' ' 208' ' ' VAL . 3.6 t -129.79 122.71 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 17' ' ' VAL . 87.7 m -127.67 142.45 51.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.9 101.45 12.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -60.38 -13.37 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.237 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.7 OUTLIER -81.48 -35.8 30.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.71 -1.38 16.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 58.36 15.35 23.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 11' ' ' THR . 53.5 t -90.32 137.66 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 19' ' ' VAL . 47.4 t -119.06 155.7 31.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 18' ' ' SER . 2.6 t -155.9 132.95 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.588 ' OD1' HG22 ' A' ' 7' ' ' THR . 3.4 t0 -124.94 144.76 50.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.48 ' CE1' HG21 ' A' ' 45' ' ' THR . 0.8 OUTLIER -139.92 127.96 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -94.45 113.43 25.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -136.55 126.95 26.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -88.52 95.18 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 13.9 p -134.92 116.4 12.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -90.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -27.2 60.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.028 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -52.77 -18.64 1.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' O ' HG22 ' B' ' 239' ' ' ILE . 24.1 mt -65.07 -41.59 94.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.9 -26.89 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 34' ' ' VAL . 89.9 t -57.77 134.94 83.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.97 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.377 1.725 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.63 -35.59 72.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.028 HG21 HG22 ' A' ' 28' ' ' THR . 8.4 t -81.91 -45.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.65 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.44 -46.73 84.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.738 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.66 -48.83 79.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.2 tt0 -64.74 -34.88 79.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.856 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.8 -47.69 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.745 HG22 ' O ' ' B' ' 229' ' ' LEU . 34.2 mm -65.07 -46.27 91.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.28 -44.64 78.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t70 -57.87 -45.0 86.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.67 -52.67 59.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.647 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.5 t -57.71 -48.99 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -56.12 -34.36 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.48 HG21 ' CE1' ' A' ' 21' ' ' TYR . 1.5 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 204' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.24 107.35 18.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.576 HG22 ' HB2' ' B' ' 224' ' ' GLU . 21.7 p -145.95 164.16 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.811 ' CG ' HD11 ' B' ' 229' ' ' LEU . 2.5 m-85 -137.78 143.55 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 21.5 m -122.05 108.22 13.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 0.945 HG22 HG22 ' A' ' 10' ' ' VAL . 78.6 t -99.19 122.7 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.517 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.6 m -107.37 146.37 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.531 HG22 HG22 ' A' ' 8' ' ' VAL . 3.5 t -139.88 113.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 52.7 m -126.48 134.44 50.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.629 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -97.13 115.17 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -13.51 61.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.441 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -83.05 -36.05 25.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.982 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.33 -1.51 17.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.46 16.83 16.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 217' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' B' ' 211' ' ' THR . 43.0 t -88.09 125.79 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.423 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.65 148.07 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.404 HG23 ' C ' ' B' ' 218' ' ' SER . 69.2 t -153.11 134.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.517 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.7 145.94 49.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.562 ' CE2' HG21 ' B' ' 245' ' ' THR . 1.7 m-85 -140.61 128.16 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -103.88 115.46 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 7.5 t -138.52 145.21 40.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.576 ' HB2' HG22 ' B' ' 205' ' ' THR . 1.8 tm-20 -94.58 93.65 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 110.303 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.602 ' O ' HD12 ' B' ' 229' ' ' LEU . 12.1 p -134.5 104.98 10.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -80.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.43 1.753 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -29.36 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.015 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.15 -38.97 55.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.811 HD11 ' CG ' ' B' ' 206' ' ' TYR . 16.8 mt -51.71 -34.21 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.381 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.584 HD21 HG11 ' A' ' 43' ' ' VAL . 17.4 mt -82.92 -22.72 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 99.6 t -69.43 136.03 88.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.738 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.93 -42.6 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.6 -34.76 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.015 HG21 HG22 ' B' ' 228' ' ' THR . 80.6 t -82.03 -46.65 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.536 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.03 -45.61 84.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.53 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.22 -48.34 74.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.546 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -67.98 -34.98 77.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.89 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.1 t -66.24 -52.83 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.65 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 4.0 mm -60.02 -51.1 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.214 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.2 OUTLIER -62.26 -44.99 95.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 13.8 t0 -57.23 -45.53 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.89 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -63.35 -52.52 61.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.5 t -60.24 -44.53 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.6 m120 -56.52 -36.87 69.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.562 HG21 ' CE2' ' B' ' 221' ' ' TYR . 63.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' B' ' 214' ' ' SER . 14.4 mmtt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.434 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.12 93.37 4.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.684 HG22 ' CG ' ' A' ' 24' ' ' GLU . 70.6 p -136.16 165.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.599 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.1 144.28 43.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -119.45 108.67 14.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 110.407 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.471 HG12 HD21 ' A' ' 42' ' ' LEU . 74.5 t -100.68 128.73 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' VAL . 17.0 m -124.1 129.16 50.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.026 HG22 HG22 ' B' ' 208' ' ' VAL . 2.9 t -124.27 126.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 99.9 m -129.9 137.45 50.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.591 ' O ' ' N ' ' A' ' 16' ' ' GLY . 5.0 p30 -100.37 98.96 9.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -56.81 -16.1 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -76.7 -34.98 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 -4.33 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.44 14.56 35.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 41.2 t -90.58 127.68 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.509 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 1.0 OUTLIER -114.63 147.98 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.066 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.628 HG12 ' CE1' ' A' ' 21' ' ' TYR . 34.4 t -147.49 154.85 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.507 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -134.76 147.55 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.742 ' CE1' HD23 ' A' ' 42' ' ' LEU . 2.9 m-85 -138.63 126.37 22.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -105.4 111.97 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.262 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -138.27 139.87 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.684 ' CG ' HG22 ' A' ' 5' ' ' THR . 28.5 mt-10 -90.74 94.12 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 p -133.6 110.74 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -86.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -27.77 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.973 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.38 -24.26 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.727 ' HB3' HG21 ' B' ' 243' ' ' VAL . 27.2 mt -61.95 -37.3 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mt -81.45 -23.44 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.663 HG12 ' H ' ' A' ' 34' ' ' VAL . 74.6 t -62.12 133.66 94.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.06 -44.12 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.973 HG21 HG22 ' A' ' 28' ' ' THR . 78.4 t -80.15 -44.51 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.709 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.84 -41.86 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -61.81 -49.44 76.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.4 mt-10 -64.31 -34.44 78.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.884 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.4 t -69.87 -53.51 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.657 HG22 ' O ' ' B' ' 229' ' ' LEU . 14.9 mm -57.34 -47.63 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -66.83 -44.94 79.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.9 t70 -57.53 -44.91 85.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -59.35 -51.35 70.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.577 HG21 HD13 ' B' ' 229' ' ' LEU . 2.1 t -64.76 -48.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.7 m120 -57.31 -36.73 71.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.55 HG21 ' CE2' ' A' ' 21' ' ' TYR . 3.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.35 107.59 18.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 16.9 p -147.9 161.43 41.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.549 ' CG ' HD11 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -136.32 148.38 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.0 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.7 m -127.5 109.13 11.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 10' ' ' VAL . 54.1 t -102.82 126.29 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.422 HG23 ' CB ' ' B' ' 220' ' ' ASP . 2.0 m -112.56 147.59 36.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.443 HG22 HG22 ' A' ' 8' ' ' VAL . 5.7 t -139.81 115.17 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.5 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 5.6 m -124.97 131.09 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.55 98.9 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 213' ' ' ASN . . . . . 0.444 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 1.0 OUTLIER -58.91 -15.42 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.434 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -78.73 -34.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -109.72 -3.45 16.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.5 12.98 35.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 217' ' ' VAL . . . . . 0.402 ' O ' HG23 ' B' ' 211' ' ' THR . 70.9 t -89.73 144.52 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.5 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.3 t -127.68 154.84 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 218' ' ' SER . 51.3 t -155.23 127.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.422 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.39 143.56 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.702 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.7 m-85 -140.2 127.93 21.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -101.68 114.34 28.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 110.222 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 223' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 206' ' ' TYR . 13.8 t -138.32 149.66 45.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.072 . . . . 0.0 110.366 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.46 94.7 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.63 ' O ' HD12 ' B' ' 229' ' ' LEU . 12.0 p -133.52 106.59 11.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.96 -82.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.548 1.815 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -74.23 -29.97 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.022 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -53.77 -39.1 65.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.9 mt -51.57 -34.88 38.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.38 -25.91 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 88.3 t -65.1 135.96 96.49 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.73 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.47 -35.06 74.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.022 HG21 HG22 ' B' ' 228' ' ' THR . 70.6 t -82.1 -46.55 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.586 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.2 -43.74 94.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.89 -48.2 78.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.2 mm-40 -70.55 -34.98 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.943 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.7 t -68.87 -36.99 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.709 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 2.9 mm -77.52 -45.65 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -67.26 -43.88 80.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 30.4 t0 -57.69 -44.98 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.943 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.2 OUTLIER -63.38 -48.65 76.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -62.85 -47.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.31 -32.72 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.702 HG21 ' HE1' ' B' ' 221' ' ' TYR . 50.0 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 214' ' ' SER . 3.8 mptp? . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.4 93.4 4.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 p -140.3 165.87 26.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' HD11 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -138.07 143.57 40.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 m -121.9 107.55 12.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.731 HG22 HG22 ' B' ' 210' ' ' VAL . 40.9 t -95.17 113.28 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.859 HG23 ' CG ' ' A' ' 20' ' ' ASP . 1.3 m -101.12 122.68 44.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.843 HG22 HG22 ' B' ' 208' ' ' VAL . 16.8 t -123.06 119.9 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.555 HG23 ' CA ' ' A' ' 18' ' ' SER . 79.0 m -129.17 144.43 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.426 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.592 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 1.4 m-20 -98.84 120.28 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -80.82 -15.72 55.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.54 -35.49 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -110.82 -10.56 14.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.09 22.65 69.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 11' ' ' THR . 11.7 t -90.16 121.56 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.555 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -106.84 140.29 39.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG12 HD23 ' A' ' 42' ' ' LEU . 2.6 t -153.64 126.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.859 ' CG ' HG23 ' A' ' 9' ' ' THR . 6.2 t0 -120.56 148.37 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.813 ' HE1' HG21 ' A' ' 45' ' ' THR . 2.3 m-85 -137.94 127.6 25.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -88.9 114.01 25.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -136.6 120.32 17.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.62 94.81 10.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -134.34 117.98 13.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -90.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.12 -27.34 60.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.045 HG22 HG21 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -52.44 -29.35 24.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' B' ' 243' ' ' VAL . 16.1 mt -52.73 -32.32 42.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.613 1.196 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.93 -31.65 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 34' ' ' VAL . 97.2 t -55.25 133.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.95 -41.72 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.8 -35.64 73.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.045 HG21 HG22 ' A' ' 28' ' ' THR . 19.8 t -82.11 -45.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.18 -48.11 79.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.765 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.43 -48.12 81.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -61.36 -34.06 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.636 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.9 t -71.06 -52.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.734 HG22 ' O ' ' B' ' 229' ' ' LEU . 17.2 mm -60.4 -42.05 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -72.58 -41.4 65.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t0 -57.77 -45.09 86.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.806 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -62.46 -51.76 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.653 HG11 HD21 ' B' ' 230' ' ' LEU . 1.5 t -61.35 -46.7 96.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.4 m120 -55.44 -37.08 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.813 HG21 ' HE1' ' A' ' 21' ' ' TYR . 3.5 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 204' ' ' ALA . . . . . 0.417 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.17 107.37 18.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.495 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 43.7 p -148.88 164.53 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.592 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.7 m-85 -136.35 143.1 43.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.1 m -113.39 107.83 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 10' ' ' VAL . 74.3 t -104.92 116.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.466 HG23 ' HA ' ' B' ' 220' ' ' ASP . 1.6 m -108.18 148.86 29.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.408 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 t -140.24 114.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.45 HG23 ' CA ' ' B' ' 218' ' ' SER . 96.5 m -123.89 132.26 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.567 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 0.3 OUTLIER -98.92 100.4 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.64 -15.71 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 18.3 p -70.06 -38.42 75.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 215' ' ' ASN . . . . . 0.522 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.5 t30 -113.94 -6.46 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 67.9 10.56 58.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 217' ' ' VAL . . . . . 0.403 ' O ' ' ND2' ' B' ' 212' ' ' ASN . 21.0 t -82.71 125.7 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.45 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.3 OUTLIER -110.87 139.69 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 54.5 t -137.32 131.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.466 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.96 144.65 46.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.798 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.6 m-85 -141.63 128.38 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -97.5 114.51 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.94 144.6 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 95.22 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.474 ' O ' HD12 ' B' ' 229' ' ' LEU . 15.8 p -134.29 110.83 11.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -85.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.9 mtm -75.6 -28.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.008 HG22 HG21 ' B' ' 234' ' ' VAL . 0.1 OUTLIER -51.89 -34.21 40.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.427 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.734 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.7 mt -51.92 -32.86 34.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.653 HD21 HG11 ' A' ' 43' ' ' VAL . 20.1 mt -81.91 -26.07 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.528 ' CG1' HG23 ' B' ' 234' ' ' VAL . 99.6 t -64.73 133.77 95.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.765 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.89 -42.79 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.433 1.754 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.51 -34.99 73.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.008 HG21 HG22 ' B' ' 228' ' ' THR . 38.8 t -83.12 -46.48 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.43 -44.04 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -57.18 -48.43 78.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 3.1 tt0 -65.33 -36.37 83.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.562 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.3 t -66.92 -48.11 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.672 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -65.63 -48.48 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.19 -42.86 96.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.4 t70 -58.8 -45.18 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.562 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -61.48 -47.59 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.651 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.8 t -65.79 -46.83 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 244' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -55.91 -36.76 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.798 HG21 ' HE1' ' B' ' 221' ' ' TYR . 1.9 m . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' B' ' 214' ' ' SER . 30.3 mmtt . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.06 93.6 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 67.0 p -135.52 162.29 33.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.62 ' CG ' HD11 ' A' ' 29' ' ' LEU . 1.2 m-85 -137.46 142.72 41.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 m -116.48 108.61 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 210' ' ' VAL . 61.9 t -102.99 120.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 6.8 m -116.52 131.96 56.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.033 HG22 HG22 ' B' ' 208' ' ' VAL . 2.6 t -126.72 121.74 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.216 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 54.4 m -125.63 140.28 52.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.4 111.51 23.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.11 -14.23 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -82.38 -35.0 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.43 -5.79 15.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.73 19.5 58.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.4 t -90.93 124.18 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.256 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.508 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -114.24 144.17 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.059 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.584 HG12 ' CE1' ' A' ' 21' ' ' TYR . 21.9 t -150.88 150.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -130.02 148.67 51.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CE1' HD23 ' A' ' 42' ' ' LEU . 2.6 m-85 -138.41 125.84 21.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.5 110.74 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 t -138.72 129.02 25.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.83 96.14 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.524 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 12.1 p -133.92 116.9 13.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -87.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.563 1.823 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.3 mtm -74.4 -28.87 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.963 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -50.99 -25.35 4.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.686 ' HB3' HG21 ' B' ' 243' ' ' VAL . 31.3 mt -64.62 -38.29 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.37 -22.58 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 34' ' ' VAL . 88.9 t -63.4 136.07 96.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.95 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.8 -35.25 74.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.963 HG21 HG22 ' A' ' 28' ' ' THR . 77.1 t -80.7 -45.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.22 -45.77 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.705 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.32 -48.87 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -63.73 -35.05 79.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.912 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.1 t -69.25 -53.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.711 HG22 ' O ' ' B' ' 229' ' ' LEU . 11.9 mm -57.31 -46.8 85.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.26 -42.63 79.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.3 t70 -58.31 -45.03 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.912 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -59.76 -52.54 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.418 HG21 HD13 ' B' ' 229' ' ' LEU . 1.9 t -63.54 -47.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.9 m120 -56.15 -39.29 72.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.415 ' HB ' ' OH ' ' A' ' 21' ' ' TYR . 23.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.63 107.51 18.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 31.5 p -148.86 159.65 43.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.059 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.479 ' CG ' HD11 ' B' ' 229' ' ' LEU . 5.9 m-85 -135.8 141.43 44.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.207 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.0 m -116.69 108.22 15.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 1.033 HG22 HG22 ' A' ' 10' ' ' VAL . 75.4 t -101.11 120.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.488 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -105.21 144.9 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.447 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 8' ' ' VAL . 5.8 t -140.27 115.54 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.419 HG23 ' CA ' ' B' ' 218' ' ' SER . 55.4 m -127.55 134.56 49.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.618 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.83 99.68 11.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 213' ' ' ASN . . . . . 0.451 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.61 -13.33 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -80.97 -35.62 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.07 -0.63 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.03 16.75 34.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 55.9 t -90.77 124.92 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.419 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.27 149.06 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.402 HG23 ' C ' ' B' ' 218' ' ' SER . 67.9 t -153.63 135.0 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.488 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.74 145.66 49.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.423 ' CE2' HG21 ' B' ' 245' ' ' THR . 4.2 m-85 -141.23 128.26 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -102.75 114.52 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.9 t -138.98 151.42 46.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 110.444 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.86 94.99 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.592 ' O ' HD12 ' B' ' 229' ' ' LEU . 20.8 p -133.73 106.27 11.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -81.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 227' ' ' MET . . . . . 0.436 ' O ' HG23 ' B' ' 231' ' ' VAL . 2.3 mtm -73.84 -30.22 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 228' ' ' THR . . . . . 0.998 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.74 -40.09 62.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.711 ' O ' HG22 ' A' ' 39' ' ' ILE . 19.0 mt -52.45 -36.28 54.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.412 HD21 HG11 ' A' ' 43' ' ' VAL . 22.4 mt -80.94 -24.08 38.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.482 HG12 ' H ' ' B' ' 234' ' ' VAL . 96.4 t -68.54 136.08 90.64 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.705 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.96 -42.26 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.58 -35.07 75.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 0.998 HG21 HG22 ' B' ' 228' ' ' THR . 69.1 t -82.73 -46.65 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.585 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.94 -45.86 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.72 -48.55 74.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.9 OUTLIER -67.64 -35.27 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.901 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.1 t -66.15 -52.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.664 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 23.4 mm -59.93 -50.69 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.54 -43.29 97.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -57.4 -44.65 84.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.901 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -65.72 -54.29 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -57.16 -43.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.5 m120 -55.51 -38.24 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.423 HG21 ' CE2' ' B' ' 221' ' ' TYR . 19.2 m . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 214' ' ' SER . 4.4 mmtm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.0 93.75 4.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -136.18 166.84 22.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' B' ' 212' ' ' ASN . 2.9 m-85 -138.14 141.3 40.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -112.99 108.6 17.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.691 HG22 HG22 ' B' ' 210' ' ' VAL . 24.1 t -105.14 118.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 28.5 m -116.34 123.0 46.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.899 HG22 HG22 ' B' ' 208' ' ' VAL . 3.0 t -119.98 120.38 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.549 HG23 ' CA ' ' A' ' 18' ' ' SER . 89.9 m -127.88 143.48 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.603 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 6.2 m-20 -98.73 122.46 41.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.58 -15.57 54.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.403 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.2 OUTLIER -82.35 -35.9 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.38 -9.55 14.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.71 22.04 65.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.8 t -90.17 123.0 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 0.719 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.549 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -105.13 145.97 29.83 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG12 HD23 ' A' ' 42' ' ' LEU . 2.3 t -152.94 123.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.88 144.34 48.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.8 127.72 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.98 113.63 24.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 t -137.16 121.82 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.453 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.91 95.91 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 35.0 p -134.17 115.49 12.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -27.66 60.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.057 HG22 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -52.27 -21.47 3.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.612 ' O ' HG22 ' B' ' 239' ' ' ILE . 22.4 mt -62.83 -40.12 96.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.717 HD21 HG11 ' B' ' 243' ' ' VAL . 11.4 mt -74.57 -25.59 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' H ' ' A' ' 34' ' ' VAL . 98.2 t -61.52 134.26 93.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -75.05 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.78 -37.54 76.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.057 HG21 HG22 ' A' ' 28' ' ' THR . 17.0 t -81.13 -45.82 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.595 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.83 -48.31 81.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.719 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -57.8 -48.88 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.9 tm-20 -62.18 -35.33 78.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.14 -53.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.698 HG22 ' O ' ' B' ' 229' ' ' LEU . 20.2 mm -57.47 -50.63 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.4 t0 -61.6 -44.49 96.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.744 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -63.17 -50.28 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.582 ' CG2' HD13 ' B' ' 229' ' ' LEU . 2.0 t -63.17 -44.96 99.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.6 m120 -55.19 -39.38 69.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 110.453 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 204' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.61 107.83 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 12.6 p -147.54 162.84 38.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.478 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 4.5 m-85 -135.47 141.34 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.9 m -112.61 108.85 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 10' ' ' VAL . 34.2 t -108.57 113.57 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.477 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.1 m -102.58 147.77 26.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.691 HG22 HG22 ' A' ' 8' ' ' VAL . 2.3 t -140.07 114.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 59.8 m -129.78 130.76 45.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.412 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.589 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 0.2 OUTLIER -98.87 100.15 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.71 -17.11 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -68.3 -37.8 81.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.961 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 215' ' ' ASN . . . . . 0.497 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.7 t30 -112.88 -8.12 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 69.35 12.65 66.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 217' ' ' VAL . . . . . 0.406 ' HB ' ' OD1' ' B' ' 212' ' ' ASN . 25.1 t -86.54 125.47 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.229 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.433 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -110.4 150.12 29.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 219' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 218' ' ' SER . 37.3 t -152.63 129.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.393 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.477 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.69 144.05 46.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.75 ' HE1' HG21 ' B' ' 245' ' ' THR . 2.0 m-85 -139.87 128.02 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -103.43 114.68 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.93 151.93 47.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 1.6 tm-20 -106.94 94.38 5.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.6 ' O ' HD12 ' B' ' 229' ' ' LEU . 46.3 p -135.28 106.11 10.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 226' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.6 Cg_endo -74.97 -82.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.551 1.816 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 227' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.46 -30.57 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.112 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.86 -37.68 53.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.698 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.6 mt -52.22 -36.33 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 43' ' ' VAL . 26.9 mt -79.94 -22.14 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.3 t -70.6 136.67 85.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.719 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.94 -42.68 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.1 -34.99 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.112 HG21 HG22 ' B' ' 228' ' ' THR . 59.0 t -82.66 -46.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.55 -45.77 85.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.68 -47.7 76.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.8 OUTLIER -66.41 -35.28 79.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.637 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.41 -52.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 29' ' ' LEU . 7.0 mm -60.19 -49.29 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.98 -41.01 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 0.8 OUTLIER -58.43 -45.45 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.637 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -62.58 -50.34 71.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 243' ' ' VAL . . . . . 0.717 HG11 HD21 ' A' ' 30' ' ' LEU . 1.5 t -62.35 -44.51 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.2 m120 -55.78 -37.72 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.75 HG21 ' HE1' ' B' ' 221' ' ' TYR . 23.9 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.475 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.75 93.59 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -143.23 160.35 40.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.41 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.58 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 4.6 m-85 -132.46 142.82 49.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -112.47 109.81 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.593 1.183 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.79 HG22 HG22 ' B' ' 210' ' ' VAL . 7.2 t -105.25 115.06 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 93.5 m -113.43 128.95 56.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 1.028 HG22 HG22 ' B' ' 208' ' ' VAL . 5.6 t -125.31 121.39 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.567 HG23 ' CA ' ' A' ' 18' ' ' SER . 80.0 m -127.58 144.92 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.6 m-20 -99.14 122.01 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.468 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.3 -15.37 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.32 -36.38 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -111.13 -7.16 14.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.74 23.49 61.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.587 1.179 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 t -90.34 120.22 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.567 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -102.49 145.52 29.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.08 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 18' ' ' SER . 3.2 t -152.84 124.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.05 144.57 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.11 128.36 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -97.98 113.51 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.3 t -137.04 129.79 30.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.21 95.92 10.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.6 p -133.77 112.47 12.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 -86.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.58 -28.14 61.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.011 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.2 -34.38 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.685 ' O ' HG22 ' B' ' 239' ' ' ILE . 24.2 mt -54.47 -36.25 63.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -80.34 -26.13 38.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 89.2 t -63.03 137.38 97.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.02 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.773 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.73 -44.77 90.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.011 HG21 HG22 ' A' ' 28' ' ' THR . 72.0 t -72.15 -44.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.5 -48.31 80.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.724 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.52 -48.81 79.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -61.73 -35.11 77.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.536 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -68.67 -52.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.755 HG22 ' O ' ' B' ' 229' ' ' LEU . 33.4 mm -59.85 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -62.14 -42.31 99.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.5 t0 -58.8 -44.52 90.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.803 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -59.93 -52.26 66.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.627 HG11 HD21 ' B' ' 230' ' ' LEU . 1.6 t -63.64 -44.15 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.4 m120 -56.08 -37.13 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 110.5 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 204' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.76 107.83 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 205' ' ' THR . . . . . 0.493 HG22 ' HB2' ' B' ' 224' ' ' GLU . 11.5 p -147.84 166.9 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 206' ' ' TYR . . . . . 0.549 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 3.2 m-85 -137.07 143.32 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.7 m -111.79 107.73 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 208' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 10' ' ' VAL . 50.3 t -106.17 119.33 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 209' ' ' THR . . . . . 0.48 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.9 m -112.14 147.11 36.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 210' ' ' VAL . . . . . 0.79 HG22 HG22 ' A' ' 8' ' ' VAL . 2.6 t -140.35 114.13 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 211' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 57.1 m -122.38 134.6 54.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 212' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -97.08 101.15 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -14.03 29.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 214' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 1.2 p -82.06 -34.92 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 215' ' ' ASN . . . . . 0.403 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.2 t30 -111.02 0.24 16.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 216' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.14 17.18 16.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 217' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 215' ' ' ASN . 43.4 t -90.76 125.16 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 218' ' ' SER . . . . . 0.478 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -114.31 142.31 46.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 4.2 t -149.84 137.04 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.326 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 220' ' ' ASP . . . . . 0.482 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -117.11 148.92 41.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 221' ' ' TYR . . . . . 0.755 ' CD1' HD23 ' B' ' 242' ' ' LEU . 3.9 m-85 -137.96 126.31 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.45 114.0 27.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -138.43 151.93 47.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 224' ' ' GLU . . . . . 0.493 ' HB2' HG22 ' B' ' 205' ' ' THR . 28.0 tt0 -104.98 93.29 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 225' ' ' THR . . . . . 0.5 ' O ' HD12 ' B' ' 229' ' ' LEU . 5.3 p -134.58 107.12 10.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 38.4 mmt -74.94 -29.18 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 228' ' ' THR . . . . . 1.003 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.07 -33.91 41.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.46 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 229' ' ' LEU . . . . . 0.755 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.1 mt -53.75 -32.94 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 230' ' ' LEU . . . . . 0.627 HD21 HG11 ' A' ' 43' ' ' VAL . 19.1 mt -83.93 -22.01 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 231' ' ' VAL . . . . . 0.597 HG12 ' H ' ' B' ' 234' ' ' VAL . 88.4 t -67.96 134.02 91.94 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.214 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 232' ' ' PRO . . . . . 0.724 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.02 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.5 -34.29 73.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 234' ' ' VAL . . . . . 1.003 HG21 HG22 ' B' ' 228' ' ' THR . 96.3 t -82.42 -46.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 235' ' ' ALA . . . . . 0.549 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -65.4 -43.96 88.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 236' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 32' ' ' PRO . . . -56.43 -48.48 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 237' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 5.5 tt0 -66.85 -35.61 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 238' ' ' VAL . . . . . 0.909 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.0 t -65.71 -55.32 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 239' ' ' ILE . . . . . 0.745 HD11 HD11 ' A' ' 39' ' ' ILE . 30.0 mm -56.93 -51.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 241' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.0 -44.36 87.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 242' ' ' LEU . . . . . 0.909 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -59.48 -49.78 76.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.8 t -67.93 -45.55 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 244' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.5 m120 -55.07 -38.5 68.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 245' ' ' THR . . . . . 0.427 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 3.7 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.462 0.173 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -127.04 81.66 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -105.72 171.15 7.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.05 93.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.465 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 59.3 p -137.07 163.25 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.14 142.46 42.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 m -118.33 109.22 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.689 HG22 HG22 ' B' ' 210' ' ' VAL . 51.3 t -103.22 119.14 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.373 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 36.9 m -111.88 123.19 49.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.0 HG22 HG22 ' B' ' 208' ' ' VAL . 3.5 t -118.5 124.16 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.547 HG23 ' CA ' ' A' ' 18' ' ' SER . 79.9 m -131.76 143.9 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.587 ' OD1' ' CE1' ' B' ' 206' ' ' TYR . 1.2 m-20 -99.07 121.51 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -81.63 -15.85 53.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.454 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.36 -35.88 24.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -110.48 -9.84 14.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 64.22 23.17 67.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.66 ' CG1' HG13 ' A' ' 46' ' ' VAL . 10.4 t -90.67 121.93 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.725 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.547 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -104.79 146.36 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.949 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG12 HD23 ' A' ' 42' ' ' LEU . 2.7 t -152.67 124.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -120.69 140.82 51.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.3 m-85 -140.54 129.09 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -90.86 114.33 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.4 t -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.6 pt-20 -88.58 95.8 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.2 p -133.33 118.44 14.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.757 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -27.63 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.103 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -52.21 -20.27 2.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.552 ' O ' HG22 ' B' ' 239' ' ' ILE . 29.0 mt -64.63 -40.24 95.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 HG11 ' B' ' 243' ' ' VAL . 14.8 mt -73.96 -26.34 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' ' 34' ' ' VAL . 85.7 t -60.38 133.88 91.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -74.96 -43.85 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -57.89 -36.95 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.103 HG21 HG22 ' A' ' 28' ' ' THR . 24.5 t -81.19 -45.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.656 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.82 -44.37 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.75 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.96 -49.26 78.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.95 -34.67 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.531 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.62 -52.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.758 HG22 ' O ' ' B' ' 229' ' ' LEU . 16.5 mm -60.3 -43.61 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.9 -40.62 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.2 t70 -58.4 -44.4 88.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.718 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -64.31 -51.42 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.655 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.5 t -60.19 -47.12 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.4 m120 -55.74 -36.67 67.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.575 HG21 ' CE1' ' A' ' 21' ' ' TYR . 2.0 m -72.42 -41.37 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.66 HG13 ' CG1' ' A' ' 17' ' ' VAL . 4.7 t -60.94 -44.35 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.598 ' NH2' HD11 ' B' ' 230' ' ' LEU . 12.4 mtm180 -72.94 -26.46 61.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.95 -37.1 66.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.049 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.02 -23.46 59.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.98 -47.18 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 47' ' ' ARG . 14.2 p -83.7 155.23 23.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 51' ' ' THR . 20.7 tt0 80.23 -57.57 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.543 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -100.9 176.34 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.616 1.197 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.543 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER 27.07 83.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 80.33 147.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.485 1.115 . . . . 0.0 109.561 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -84.49 159.0 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.86 136.9 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.1 t -153.68 -72.52 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 108.271 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.68 -57.2 6.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.438 ' CD1' ' C ' ' A' ' 60' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 7.1 mtm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.547 0.213 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -156.61 81.05 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.448 1.092 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.79 154.24 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 204' ' ' ALA . . . . . 0.454 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.72 107.9 18.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.05 166.52 27.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.587 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -136.94 145.26 44.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 3.2 m -116.25 107.99 15.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 1.0 HG22 HG22 ' A' ' 10' ' ' VAL . 48.0 t -109.87 115.94 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 2.1 m -104.99 150.27 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.699 HG12 HG21 ' B' ' 246' ' ' VAL . 2.2 t -139.64 114.6 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.496 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 3.1 m -125.05 132.06 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.4 OUTLIER -96.75 99.3 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 213' ' ' ASN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -60.4 -12.64 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.01 -35.49 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -110.54 -2.62 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.53 13.35 37.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.645 HG12 HG13 ' B' ' 246' ' ' VAL . 79.0 t -89.28 144.99 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 109.23 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.496 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.0 t -127.27 154.73 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.746 ' HB ' HG22 ' B' ' 246' ' ' VAL . 45.5 t -155.24 124.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.84 143.97 43.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.3 m-85 -140.75 127.58 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -101.54 113.42 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -138.11 149.17 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.23 95.09 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.531 ' O ' HD12 ' B' ' 229' ' ' LEU . 19.8 p -133.58 108.58 12.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.352 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.02 -29.66 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.081 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.11 -36.39 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.437 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.758 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.6 mt -51.23 -32.35 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.598 HD11 ' NH2' ' A' ' 47' ' ' ARG . 27.3 mt -82.78 -25.99 32.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.562 HG12 ' H ' ' B' ' 234' ' ' VAL . 95.3 t -63.97 134.64 96.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.75 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.6 Cg_endo -74.88 -43.53 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.69 -35.42 74.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.081 HG21 HG22 ' B' ' 228' ' ' THR . 60.6 t -81.84 -45.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.572 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.375 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.544 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -58.06 -47.88 81.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -68.18 -35.18 77.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.893 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.5 t -68.61 -39.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.656 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 9.4 mm -75.24 -44.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -68.51 -40.97 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.2 t70 -60.09 -45.68 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 1.004 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -61.06 -49.14 78.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.6 t -64.65 -45.19 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.3 m120 -56.45 -36.5 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.455 HG21 ' CE2' ' B' ' 221' ' ' TYR . 88.7 m -71.9 -43.91 64.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.444 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 1.004 HG23 ' O ' ' B' ' 242' ' ' LEU . 19.2 t -60.23 -43.93 94.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -73.24 -26.99 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.5 p -53.26 -36.16 60.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -71.87 -22.43 61.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.49 -32.29 58.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 16.0 p -93.1 141.28 28.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -49.45 -40.11 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -77.47 133.93 38.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.05 27.83 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -104.58 103.7 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.4 1.063 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -115.22 136.81 52.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 2.6 m -63.93 118.23 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 8.9 t -163.34 58.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.355 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 61.58 132.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.45 0.167 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.47 83.54 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' B' ' 214' ' ' SER . 2.4 mmtt -103.66 170.18 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.1 93.29 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.442 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 65.8 p -135.71 163.4 30.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.676 ' CD2' HD11 ' A' ' 29' ' ' LEU . 4.5 m-85 -136.73 140.68 42.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.21 109.88 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.586 HG22 HG22 ' B' ' 210' ' ' VAL . 64.4 t -102.21 129.41 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 13.4 m -124.43 124.16 41.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.062 HG22 HG22 ' B' ' 208' ' ' VAL . 2.6 t -119.05 125.35 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 17' ' ' VAL . 52.2 m -131.09 142.3 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.2 m-20 -101.25 100.39 10.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -61.62 -13.27 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.424 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.0 OUTLIER -81.71 -35.0 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -110.79 -1.67 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.32 14.68 34.85 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 11' ' ' THR . 56.2 t -90.02 139.46 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 19' ' ' VAL . 39.6 t -119.27 157.44 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.807 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.3 t -155.03 124.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.66 138.63 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.69 ' CE2' HG21 ' A' ' 45' ' ' THR . 0.7 OUTLIER -141.48 128.05 20.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.957 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -89.86 112.73 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -136.83 120.13 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -88.47 96.49 10.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.213 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 22.2 p -132.41 114.27 14.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -87.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -28.44 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.082 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.41 -33.1 28.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.82 ' HB3' HG21 ' B' ' 243' ' ' VAL . 19.0 mt -54.26 -36.48 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.703 HD21 HG11 ' B' ' 243' ' ' VAL . 14.9 mt -81.74 -23.54 36.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 97.4 t -65.97 135.25 95.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.557 1.819 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.2 -38.69 77.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.082 HG21 HG22 ' A' ' 28' ' ' THR . 72.8 t -81.67 -45.54 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.47 -48.28 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.732 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.38 -49.37 77.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 9.0 mm-40 -63.29 -34.51 77.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.929 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -69.02 -48.98 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.7 HG22 ' O ' ' B' ' 229' ' ' LEU . 10.7 mm -64.12 -47.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -65.88 -44.54 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.9 t70 -57.03 -44.45 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.005 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -64.22 -53.79 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.679 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.5 t -57.43 -48.45 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.5 m120 -55.48 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.69 HG21 ' CE2' ' A' ' 21' ' ' TYR . 22.7 m -73.98 -43.72 57.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 42' ' ' LEU . 4.5 t -60.45 -41.37 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -73.48 -31.56 63.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -33.9 60.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.955 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -70.74 -25.52 62.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' CZ2' ' A' ' 60' ' ' TRP . 1.8 t0 -64.49 -38.65 91.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -98.61 173.44 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.451 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' N ' ' OG1' ' A' ' 51' ' ' THR . 4.7 pm0 -80.64 -27.89 37.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 51' ' ' THR . 2.9 p30 -103.48 135.49 44.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.19 51.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -146.56 -57.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -106.14 136.75 45.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 60' ' ' TRP . 11.7 p -95.47 156.77 3.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 p -163.46 -46.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.25 -51.32 2.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.536 ' CZ2' ' OD1' ' A' ' 50' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 8.9 mtp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.465 0.174 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 70.02 54.98 9.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.55 154.12 27.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 204' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.15 108.12 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.453 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 34.7 p -147.9 163.05 37.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.617 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.3 m-85 -137.02 146.54 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.9 m -122.86 108.34 12.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 1.062 HG22 HG22 ' A' ' 10' ' ' VAL . 37.6 t -103.16 111.88 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.541 HG23 ' HB3' ' B' ' 220' ' ' ASP . 0.6 OUTLIER -97.42 144.21 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.667 ' HB ' HD22 ' B' ' 242' ' ' LEU . 2.3 t -139.64 114.08 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.438 HG23 ' CA ' ' B' ' 218' ' ' SER . 51.0 m -128.14 136.58 51.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.9 m-20 -97.02 118.1 32.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 -10.86 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -79.58 -38.12 34.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.962 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -112.45 -10.33 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.93 15.38 76.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.744 HG12 HG13 ' B' ' 246' ' ' VAL . 51.8 t -82.43 125.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.438 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.4 146.32 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.584 ' HB ' HG22 ' B' ' 246' ' ' VAL . 73.1 t -153.26 130.79 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.541 ' HB3' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -121.98 145.79 47.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.375 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.469 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.8 m-85 -141.28 128.48 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -101.28 115.13 29.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 223' ' ' THR . . . . . 0.405 ' O ' ' N ' ' B' ' 206' ' ' TYR . 6.1 t -137.1 150.32 47.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.16 94.69 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.571 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.94 108.89 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -84.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.537 1.809 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -75.54 -28.86 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 228' ' ' THR . . . . . 0.992 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.57 -35.77 54.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.2 mt -52.0 -34.76 44.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 30.7 mt -79.67 -26.7 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.0 t -64.48 134.57 96.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.732 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -74.99 -42.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.16 -35.47 75.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 0.992 HG21 HG22 ' B' ' 228' ' ' THR . 96.9 t -81.88 -46.7 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.76 -44.06 94.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -56.64 -48.0 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.5 OUTLIER -65.74 -34.39 78.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.581 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.3 t -67.69 -48.71 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 29' ' ' LEU . 29.7 mm -65.36 -46.09 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -66.88 -41.03 87.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.6 t70 -59.99 -45.06 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 1.014 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -63.13 -48.53 78.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.1 t -64.32 -43.49 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.1 m120 -56.33 -37.25 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.469 HG21 ' CE2' ' B' ' 221' ' ' TYR . 32.4 m -73.81 -42.44 60.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 1.014 HG23 ' O ' ' B' ' 242' ' ' LEU . 21.6 t -60.99 -40.58 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 247' ' ' ARG . . . . . 0.446 ' O ' HG23 ' B' ' 251' ' ' THR . 2.7 mtt180 -73.27 -29.87 63.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.8 p -53.05 -47.23 68.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.175 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -26.66 62.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -69.1 -31.29 69.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.446 HG23 ' O ' ' B' ' 247' ' ' ARG . 33.2 p -104.3 161.19 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -24.0 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -111.89 134.6 53.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -110.59 145.06 38.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.62 108.55 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.61 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -116.16 134.07 55.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.8 p -102.46 155.95 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 62.04 161.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 259' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' B' ' 260' ' ' TRP . . . 76.33 107.19 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 260' ' ' TRP . . . . . 0.416 ' CD1' ' O ' ' B' ' 259' ' ' GLY . 1.7 m95 . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.43 0.157 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.51 76.07 0.27 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.589 1.18 . . . . 0.0 111.049 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 3.7 mptt -105.73 167.36 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.236 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.22 93.81 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 24' ' ' GLU . 69.9 p -142.77 155.61 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.619 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 3.9 m-85 -130.06 139.57 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.1 m -112.48 113.15 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 110.427 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.703 HG22 HG22 ' B' ' 210' ' ' VAL . 51.4 t -106.23 120.62 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' OD2' ' A' ' 20' ' ' ASP . 25.9 m -113.07 124.57 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.055 HG22 HG22 ' B' ' 208' ' ' VAL . 2.7 t -121.4 120.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.539 HG23 ' CA ' ' A' ' 18' ' ' SER . 59.6 m -129.19 145.33 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.511 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.602 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 1.5 m-20 -99.91 122.36 42.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.474 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -82.66 -14.99 53.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.401 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -83.28 -35.94 24.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -111.28 -10.43 14.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.31 23.14 69.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.632 ' CG1' HG13 ' A' ' 46' ' ' VAL . 11.1 t -89.97 120.12 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.539 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -104.83 143.27 33.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 18' ' ' SER . 2.4 t -153.94 124.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.554 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.2 m-85 -139.96 128.47 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -92.94 113.92 26.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -136.19 126.59 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.45 96.44 10.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.545 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.6 p -132.9 116.13 14.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -27.42 61.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.057 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.023 ' HB ' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -50.75 -25.47 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.813 ' HB3' HG21 ' B' ' 243' ' ' VAL . 13.2 mt -58.99 -41.27 87.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.449 HD21 HG11 ' B' ' 243' ' ' VAL . 5.4 mt -78.65 -25.35 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.624 HG12 ' H ' ' A' ' 34' ' ' VAL . 87.1 t -61.74 134.5 93.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.525 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.05 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.85 -36.18 76.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.023 HG11 ' HB ' ' A' ' 28' ' ' THR . 92.6 t -79.96 -44.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.625 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.94 -45.3 86.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.739 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.9 -48.9 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 12.5 tt0 -61.22 -34.5 75.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.762 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -70.18 -51.61 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.874 HD11 HD11 ' B' ' 239' ' ' ILE . 25.4 mm -61.28 -42.5 93.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -71.68 -40.84 69.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.8 t70 -59.34 -44.92 92.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.6 -51.18 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.677 HG11 HD21 ' B' ' 230' ' ' LEU . 1.5 t -60.61 -47.37 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.6 m120 -55.78 -36.6 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.608 HG21 ' CE1' ' A' ' 21' ' ' TYR . 4.8 m -74.16 -38.65 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.632 HG13 ' CG1' ' A' ' 17' ' ' VAL . 5.9 t -61.05 -45.77 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -72.74 -30.43 64.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.113 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -55.04 -34.47 63.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -32.38 62.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.61 -47.13 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.5 p -76.37 148.69 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 75.2 -61.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 110.342 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 174.26 10.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.62 163.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 31.4 m80 51.35 99.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.578 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -111.14 134.29 52.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.538 HG23 ' HD1' ' A' ' 60' ' ' TRP . 2.9 m -64.53 117.24 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.5 t -69.88 88.46 0.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.74 -128.85 2.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.538 ' HD1' HG23 ' A' ' 57' ' ' VAL . 1.1 p-90 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 8.4 mtp . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.475 0.179 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -134.32 61.36 0.64 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.546 1.154 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -121.32 155.17 35.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 0.825 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 204' ' ' ALA . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.01 108.05 19.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 15.9 p -147.38 166.29 27.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.602 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -137.22 143.65 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 7.9 m -112.74 108.25 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 1.055 HG22 HG22 ' A' ' 10' ' ' VAL . 34.1 t -108.73 113.9 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.501 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -104.42 147.2 27.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.865 HG12 HG21 ' B' ' 246' ' ' VAL . 2.1 t -140.36 114.34 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 54.8 m -127.44 135.53 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.619 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.6 m-20 -96.54 118.44 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 213' ' ' ASN . . . . . 0.413 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -76.89 -14.25 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -82.6 -35.25 27.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -109.91 -5.98 15.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 60.72 18.14 51.71 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.803 HG12 HG13 ' B' ' 246' ' ' VAL . 53.8 t -90.01 127.26 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.235 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.442 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -112.38 146.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.797 ' HB ' HG22 ' B' ' 246' ' ' VAL . 61.8 t -153.16 132.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.501 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -120.72 144.94 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.551 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.0 m-85 -140.36 128.33 22.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -99.68 115.11 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -137.34 151.4 48.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.425 ' HB2' HG22 ' B' ' 205' ' ' THR . 42.3 tt0 -109.04 94.85 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.524 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.97 108.59 11.68 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -83.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.8 mtm -75.69 -29.48 59.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.024 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.28 -35.63 50.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.445 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.9 mt -51.79 -32.9 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.677 HD21 HG11 ' A' ' 43' ' ' VAL . 22.1 mt -82.25 -24.77 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 96.3 t -66.36 134.37 94.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.739 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.97 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.37 -35.6 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.024 HG21 HG22 ' B' ' 228' ' ' THR . 54.3 t -82.05 -46.13 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.91 -43.63 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -57.02 -47.75 80.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.2 OUTLIER -66.87 -34.91 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.845 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.8 t -66.1 -49.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.874 HD11 HD11 ' A' ' 39' ' ' ILE . 23.4 mm -63.53 -50.82 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.25 -43.86 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.23 -45.04 88.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.977 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -63.3 -50.36 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.813 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.4 t -62.27 -45.79 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -55.58 -36.23 66.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.551 HG21 ' CE2' ' B' ' 221' ' ' TYR . 22.3 m -74.88 -41.84 59.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.977 HG23 ' O ' ' B' ' 242' ' ' LEU . 30.6 t -61.46 -40.5 86.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -73.52 -30.03 62.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 7.7 t -54.31 -41.7 69.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.95 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.53 -27.56 64.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.83 -59.43 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.481 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.9 OUTLIER -79.58 176.32 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 110.377 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 252' ' ' GLU . . . . . 0.481 ' N ' ' OG1' ' B' ' 251' ' ' THR . 42.7 mm-40 -92.19 26.83 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.65 172.42 6.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -142.26 168.31 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.95 170.85 17.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -120.99 150.38 41.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.6 p -103.72 157.16 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 69.41 154.98 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 259' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' B' ' 260' ' ' TRP . . . 110.13 -162.25 12.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 260' ' ' TRP . . . . . 0.492 ' CG ' ' O ' ' B' ' 259' ' ' GLY . 65.5 p-90 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ttp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.547 0.213 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.28 -52.61 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 214' ' ' SER . 16.4 mmtt -101.15 168.85 9.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.601 0.824 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.429 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.36 93.85 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p -137.29 164.8 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.716 ' CG ' HD11 ' A' ' 29' ' ' LEU . 2.0 m-85 -137.96 142.35 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -114.71 109.5 18.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.533 HG22 HG22 ' B' ' 210' ' ' VAL . 29.2 t -105.29 119.62 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.7 m -116.61 124.02 48.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.182 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.967 HG22 HG22 ' B' ' 208' ' ' VAL . 4.1 t -117.43 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 17' ' ' VAL . 81.1 m -131.81 139.67 48.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.7 p30 -100.6 99.56 10.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -58.12 -15.49 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -34.61 58.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.74 -4.69 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.09 11.04 36.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 11' ' ' THR . 78.4 t -88.87 144.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' VAL . 41.1 t -120.16 159.76 24.23 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.756 ' HB ' HG22 ' A' ' 46' ' ' VAL . 4.2 t -153.69 124.35 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.09 139.57 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 5.3 m-85 -139.97 126.74 20.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -92.78 113.32 25.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.607 1.192 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.6 t -137.97 119.56 15.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.84 95.62 10.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' HD12 ' A' ' 29' ' ' LEU . 5.7 p -133.6 115.28 13.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.08 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -90.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -28.42 60.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.996 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -53.01 -30.71 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.856 ' HB3' HG21 ' B' ' 243' ' ' VAL . 13.2 mt -52.47 -29.43 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.221 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -82.37 -30.15 30.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.535 HG23 ' HA ' ' A' ' 28' ' ' THR . 99.2 t -56.26 134.67 75.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.565 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.98 -42.27 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.65 -36.77 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.996 HG21 HG22 ' A' ' 28' ' ' THR . 37.2 t -81.47 -45.82 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.18 -48.27 79.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -56.5 -48.81 76.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 13.7 tt0 -62.88 -35.2 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.846 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.63 -45.9 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.824 HD11 HD11 ' B' ' 239' ' ' ILE . 43.4 mm -67.93 -45.08 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.77 -45.04 76.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.6 t70 -59.37 -44.21 92.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -66.26 -51.39 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.3 t -58.8 -44.39 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -36.71 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.4 m -74.03 -42.67 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.431 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.809 HG21 HG12 ' A' ' 10' ' ' VAL . 46.1 t -60.86 -40.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -73.79 -30.95 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m -54.9 -31.51 60.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.01 -23.4 59.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.08 -32.97 74.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.485 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 1.2 t -100.77 176.89 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' N ' ' OG1' ' A' ' 51' ' ' THR . 5.7 mt-10 -61.08 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -64.83 143.59 57.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -104.53 92.9 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -167.94 -74.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.6 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -121.25 158.49 27.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.47 149.5 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.3 t -133.52 -62.39 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 108.34 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.28 -104.98 2.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 3.5 mtp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.469 0.176 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -135.81 61.83 0.61 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -115.9 154.87 28.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.39 107.89 19.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.5 p -148.01 160.7 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.669 ' CG ' HD11 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -135.73 146.8 48.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 96.7 m -125.56 108.3 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 0.967 HG22 HG22 ' A' ' 10' ' ' VAL . 25.0 t -103.77 114.76 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -97.3 148.28 23.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.76 HG12 HG21 ' B' ' 246' ' ' VAL . 2.7 t -139.79 114.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.482 HG23 ' HB3' ' B' ' 218' ' ' SER . 53.1 m -129.66 125.8 36.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 30.8 p30 -96.44 98.31 10.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.01 -16.78 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.429 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.3 p -72.6 -36.26 68.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 215' ' ' ASN . . . . . 0.416 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.9 t30 -111.46 -3.74 15.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.09 14.62 47.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.49 ' N ' ' OD1' ' B' ' 212' ' ' ASN . 67.9 t -90.13 132.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.482 ' HB3' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -116.23 148.21 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.502 ' HB ' HG23 ' B' ' 246' ' ' VAL . 18.9 t -152.73 125.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.51 145.57 40.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.475 ' HE1' HG21 ' B' ' 245' ' ' THR . 4.6 m-85 -139.94 127.57 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -102.81 114.64 29.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.7 t -137.61 149.23 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.09 94.38 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.528 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.39 110.9 12.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.5 mtm -74.72 -29.47 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.006 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.51 -35.65 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.903 ' HB3' HG21 ' A' ' 43' ' ' VAL . 15.8 mt -51.87 -32.98 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.466 HD21 HG11 ' A' ' 43' ' ' VAL . 18.6 mt -82.31 -23.24 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.538 HG12 ' H ' ' B' ' 234' ' ' VAL . 94.5 t -67.16 134.85 93.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.718 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.94 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.72 -34.83 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.006 HG21 HG22 ' B' ' 228' ' ' THR . 95.8 t -82.62 -46.06 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.542 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -65.1 -46.96 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -53.88 -46.6 71.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -68.47 -35.06 77.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.605 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.9 t -68.16 -39.64 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.824 HD11 HD11 ' A' ' 39' ' ' ILE . 41.9 mm -74.92 -45.01 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -68.2 -40.34 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t70 -60.83 -45.27 95.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.661 HD22 ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -64.62 -48.56 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.856 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -62.61 -44.84 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -56.07 -36.52 68.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.475 HG21 ' HE1' ' B' ' 221' ' ' TYR . 22.5 m -73.44 -41.67 62.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.468 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.76 HG21 HG12 ' B' ' 210' ' ' VAL . 2.5 t -61.28 -44.36 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -73.47 -26.42 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 22.7 t -54.31 -40.71 68.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -22.43 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -62.29 -47.46 84.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -105.96 171.5 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 110.422 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 252' ' ' GLU . . . . . 0.458 ' N ' ' OG1' ' B' ' 251' ' ' THR . 1.0 OUTLIER -95.66 53.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 253' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' B' ' 254' ' ' GLU . 7.5 t-20 -108.16 141.35 40.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 254' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' B' ' 255' ' ' HIS . 9.6 pt-20 37.98 -157.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 255' ' ' HIS . . . . . 0.419 ' N ' ' HG3' ' B' ' 254' ' ' GLU . 0.9 OUTLIER -173.53 -65.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.64 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -115.93 155.96 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 257' ' ' VAL . . . . . 0.428 ' H ' HG22 ' B' ' 257' ' ' VAL . 3.1 m -65.12 156.88 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 49.1 t -120.57 -64.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 108.244 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -132.02 -76.0 0.12 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtp . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.506 0.193 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.29 78.52 0.37 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -103.2 168.48 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 0.738 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.58 93.68 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 24' ' ' GLU . 77.7 p -140.47 157.79 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.346 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.714 ' CG ' HD11 ' A' ' 29' ' ' LEU . 3.2 m-85 -131.33 139.66 49.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.56 108.32 17.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.526 HG22 HG22 ' B' ' 210' ' ' VAL . 71.4 t -103.39 125.37 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.566 HG23 ' OD2' ' A' ' 20' ' ' ASP . 85.9 m -120.04 123.68 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.935 HG22 HG22 ' B' ' 208' ' ' VAL . 7.0 t -121.35 119.1 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 18' ' ' SER . 41.4 m -124.77 144.62 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.589 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 0.3 OUTLIER -100.55 112.3 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.476 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.74 -14.01 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.78 -36.37 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -111.31 -1.32 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 57.46 19.08 32.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 20.5 t -90.38 130.59 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.04 146.14 38.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.473 HG12 HD23 ' A' ' 42' ' ' LEU . 2.3 t -153.36 124.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.566 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -122.68 146.52 47.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.51 128.73 23.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.33 113.68 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 t -136.52 119.76 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -89.03 96.48 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.417 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 7.1 p -133.19 115.0 13.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 -91.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -27.59 59.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.038 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -53.13 -31.22 41.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.375 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.727 ' HB3' HG21 ' B' ' 243' ' ' VAL . 14.1 mt -51.24 -30.86 18.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.077 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.87 -28.73 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' HA ' ' A' ' 28' ' ' THR . 84.9 t -58.94 134.21 87.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.04 -34.87 70.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.038 HG21 HG22 ' A' ' 28' ' ' THR . 24.2 t -81.95 -45.45 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.65 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.39 -48.12 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.76 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -56.6 -48.57 77.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 18.8 mt-10 -62.27 -34.7 77.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.996 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.91 -46.27 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.734 HG22 ' O ' ' B' ' 229' ' ' LEU . 25.8 mm -67.55 -42.69 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.87 -40.97 71.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.5 t0 -57.92 -45.27 86.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.996 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -60.54 -51.89 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.597 HG11 HD21 ' B' ' 230' ' ' LEU . 1.7 t -62.2 -46.87 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.3 m120 -55.8 -36.54 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -40.84 66.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.414 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 11.2 t -60.97 -45.82 97.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mtt85 -72.74 -27.48 62.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -53.33 -39.18 63.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.78 -33.16 74.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.24 70.2 9.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -126.17 174.57 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.385 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' N ' ' OG1' ' A' ' 51' ' ' THR . 1.8 mt-10 -45.09 -52.86 8.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.235 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.53 175.54 8.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 55' ' ' HIS . 5.1 pm0 -52.36 -30.94 31.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.506 ' CB ' ' O ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER 161.43 67.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -120.72 152.46 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -73.18 143.48 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.32 56.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.37 83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 66.0 mtp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.541 0.21 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 48.54 67.57 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.33 153.6 34.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.73 108.08 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.476 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.0 p -148.52 161.87 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.695 ' CD2' HD11 ' B' ' 229' ' ' LEU . 5.4 m-85 -137.46 141.29 41.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.5 m -114.38 108.73 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 10' ' ' VAL . 38.5 t -105.43 112.53 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.448 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -99.38 148.79 23.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.473 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.858 HG12 HG21 ' B' ' 246' ' ' VAL . 3.1 t -140.79 115.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' B' ' 218' ' ' SER . 57.2 m -129.12 130.52 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.447 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 25.5 p30 -96.73 100.64 12.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.595 1.185 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.46 -14.77 13.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -75.35 -35.98 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 215' ' ' ASN . . . . . 0.431 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.5 t30 -111.49 -3.33 15.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.71 14.31 43.12 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.6 HG12 HG13 ' B' ' 246' ' ' VAL . 55.4 t -89.9 129.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.416 ' HA ' ' OG1' ' B' ' 211' ' ' THR . 0.2 OUTLIER -112.45 149.93 31.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.048 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.772 ' HB ' HG22 ' B' ' 246' ' ' VAL . 53.9 t -151.8 128.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.448 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -116.38 145.1 43.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.687 ' HE1' HG21 ' B' ' 245' ' ' THR . 3.1 m-85 -140.55 127.73 20.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -101.19 113.86 27.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.5 t -138.49 146.27 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.77 94.43 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.529 ' O ' HD12 ' B' ' 229' ' ' LEU . 18.1 p -133.58 108.71 12.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.2 mmt -74.8 -28.88 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.08 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.81 -34.82 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.734 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.2 mt -51.64 -32.94 31.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.597 HD21 HG11 ' A' ' 43' ' ' VAL . 23.5 mt -81.62 -26.12 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.545 HG12 ' H ' ' B' ' 234' ' ' VAL . 94.7 t -64.14 133.95 95.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.76 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 -42.73 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.29 -34.92 74.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.08 HG21 HG22 ' B' ' 228' ' ' THR . 73.7 t -82.19 -45.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.552 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -54.86 -48.79 72.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.1 tt0 -67.18 -35.11 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.52 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.7 t -67.46 -42.37 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.65 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mm -72.32 -47.84 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.31 -42.48 96.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t0 -60.43 -44.68 95.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.94 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -63.17 -46.92 84.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.9 t -66.09 -45.7 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.03 -36.37 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.687 HG21 ' HE1' ' B' ' 221' ' ' TYR . 2.3 m -74.46 -40.72 61.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.94 HG23 ' O ' ' B' ' 242' ' ' LEU . 66.3 t -61.33 -42.76 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 247' ' ' ARG . . . . . 0.474 ' O ' HG23 ' B' ' 251' ' ' THR . 7.2 mtt180 -73.27 -29.52 62.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 5.1 p -53.61 -35.88 61.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.88 -29.95 69.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -75.83 -31.56 59.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.474 HG23 ' O ' ' B' ' 247' ' ' ARG . 21.0 p -94.28 161.66 14.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.08 -57.58 11.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.0 133.86 50.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 161.34 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 5.2 t60 63.53 149.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.549 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -119.26 158.25 26.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 5.7 p -78.19 127.29 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 25.5 p -167.4 169.29 12.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 108.272 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 54.65 -156.58 7.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mtp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.504 0.192 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 134.67 76.85 0.09 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -103.22 168.83 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 24' ' ' GLU . . . -106.87 93.93 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.8 p -140.22 158.27 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 5.6 m-85 -137.8 140.06 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.54 HG22 ' OD1' ' A' ' 20' ' ' ASP . 17.2 m -119.24 114.45 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.676 HG22 HG22 ' B' ' 210' ' ' VAL . 37.1 t -99.22 121.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.71 HG23 ' CG ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -107.48 126.39 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.959 HG22 HG22 ' B' ' 208' ' ' VAL . 4.1 t -125.64 120.12 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 17' ' ' VAL . 83.8 m -126.62 140.25 52.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' GLY . 18.7 p30 -100.39 99.2 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.644 1.215 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.65 -16.03 9.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -34.84 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.31 -5.12 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.238 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.32 12.87 47.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 11' ' ' THR . 71.5 t -90.63 144.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 19' ' ' VAL . 46.7 t -119.55 157.75 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.804 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.3 t -154.85 124.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.71 ' CG ' HG23 ' A' ' 9' ' ' THR . 1.8 t0 -115.79 145.19 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.632 ' HE1' HG21 ' A' ' 45' ' ' THR . 3.2 m-85 -139.84 127.31 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.24 111.87 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 t -137.33 131.48 32.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 4' ' ' ALA . 28.1 tt0 -89.29 94.95 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.5 p -134.57 113.23 11.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.45 1.763 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.74 -27.6 61.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.076 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.94 -24.96 7.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.651 ' O ' HG22 ' B' ' 239' ' ' ILE . 17.5 mt -60.16 -38.72 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD21 HG11 ' B' ' 243' ' ' VAL . 8.2 mt -79.84 -23.77 41.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 34' ' ' VAL . 78.3 t -63.52 136.63 96.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.07 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.91 -35.88 73.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.076 HG21 HG22 ' A' ' 28' ' ' THR . 23.4 t -82.06 -44.59 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.645 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.747 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.59 -49.68 76.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 10.3 mm-40 -62.03 -34.54 76.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.819 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -69.21 -48.02 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.689 HG22 ' O ' ' B' ' 229' ' ' LEU . 15.3 mm -65.99 -45.27 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.52 -44.42 78.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t70 -58.53 -44.34 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -66.3 -50.95 61.91 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.823 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.4 t -59.24 -45.66 92.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -37.31 67.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.632 HG21 ' HE1' ' A' ' 21' ' ' TYR . 65.7 m -73.83 -41.15 62.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.804 HG22 ' HB ' ' A' ' 19' ' ' VAL . 61.5 t -60.84 -42.63 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -73.26 -29.81 63.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -53.47 -36.73 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -22.92 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.24 -33.35 19.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.7 p -97.91 167.49 10.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 53' ' ' ASN . 2.3 pt-20 -64.61 -32.92 74.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 5.9 p-10 -72.82 133.93 44.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.55 -0.9 10.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.49 -80.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.585 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -74.91 137.63 41.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 m -64.43 142.85 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.0 t -135.32 -56.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 108.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.18 163.56 31.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.6 m0 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.467 0.175 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -97.23 63.02 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -117.43 154.49 31.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 109.336 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -101.92 107.59 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.454 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.4 p -147.4 160.37 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 12' ' ' ASN . 6.2 m-85 -137.73 141.89 41.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 98.8 m -118.32 109.15 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 0.959 HG22 HG22 ' A' ' 10' ' ' VAL . 50.7 t -100.46 122.26 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.42 HG23 ' HA ' ' B' ' 220' ' ' ASP . 1.9 m -109.54 148.3 31.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 110.381 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.676 HG22 HG22 ' A' ' 8' ' ' VAL . 2.3 t -139.65 114.81 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.5 HG23 ' O ' ' B' ' 217' ' ' VAL . 51.9 m -125.54 132.04 52.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -97.59 104.41 16.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 213' ' ' ASN . . . . . 0.42 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -63.09 -12.53 27.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -80.97 -35.18 32.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.078 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 215' ' ' ASN . . . . . 0.425 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.6 t30 -110.96 -0.72 16.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 58.2 15.08 21.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.565 HG12 HG13 ' B' ' 246' ' ' VAL . 79.1 t -90.25 145.33 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.466 ' O ' HG23 ' B' ' 219' ' ' VAL . 44.0 t -126.39 155.54 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.824 ' CG2' HG22 ' B' ' 246' ' ' VAL . 38.9 t -154.17 124.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.42 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -113.53 143.39 44.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.3 m-85 -140.07 127.78 21.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.593 1.183 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.18 113.65 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.8 t -138.32 145.84 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.442 ' HB3' HG22 ' B' ' 205' ' ' THR . 0.0 OUTLIER -104.95 93.95 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.469 ' O ' HD12 ' B' ' 229' ' ' LEU . 2.2 p -135.03 110.29 10.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -83.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -29.59 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.057 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.66 -36.15 45.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.823 HD13 ' CG2' ' A' ' 43' ' ' VAL . 17.5 mt -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.63 -24.83 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 71.8 t -66.82 134.0 94.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.747 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.0 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.519 1.8 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.68 -34.29 72.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.057 HG21 HG22 ' B' ' 228' ' ' THR . 68.1 t -82.81 -46.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.43 -42.91 91.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.528 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.53 -47.73 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 40.8 mt-10 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.577 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.8 t -66.31 -51.96 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 29' ' ' LEU . 20.4 mm -60.4 -51.23 75.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -62.61 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.4 t0 -57.26 -45.38 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.979 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -62.18 -50.61 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.0 t -62.43 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 244' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.31 -36.72 69.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.443 HG21 ' CE2' ' B' ' 221' ' ' TYR . 31.6 m -71.46 -43.84 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.979 HG23 ' O ' ' B' ' 242' ' ' LEU . 12.8 t -60.48 -43.65 94.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -72.94 -26.58 61.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 248' ' ' SER . . . . . 0.576 ' O ' HG23 ' B' ' 251' ' ' THR . 0.3 OUTLIER -53.63 -31.28 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.013 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.86 -27.84 62.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -104.27 65.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.576 HG23 ' O ' ' B' ' 248' ' ' SER . 43.2 p -126.11 174.22 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -82.02 -39.38 23.63 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.9 173.37 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -60.6 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.368 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 73.2 -61.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -101.87 151.54 21.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 257' ' ' VAL . . . . . 0.596 ' CG2' ' CD1' ' B' ' 260' ' ' TRP . 7.5 p -100.2 133.4 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.35 87.03 2.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 108.38 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 55.39 104.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 260' ' ' TRP . . . . . 0.596 ' CD1' ' CG2' ' B' ' 257' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.475 0.179 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.0 71.24 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.573 1.171 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -106.69 169.34 8.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.419 0.717 . . . . 0.0 109.333 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.54 4.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.1 p -143.65 161.08 39.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.468 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.784 ' CD2' HD11 ' A' ' 29' ' ' LEU . 7.0 m-85 -135.93 138.82 42.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.9 m -111.88 109.69 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.672 HG22 HG22 ' B' ' 210' ' ' VAL . 73.4 t -102.23 128.13 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' OD2' ' A' ' 20' ' ' ASP . 16.8 m -120.45 123.49 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.076 HG22 HG22 ' B' ' 208' ' ' VAL . 3.4 t -120.89 120.21 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.479 ' C ' HD21 ' A' ' 12' ' ' ASN . 54.5 m -128.1 144.11 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.743 ' N ' HD21 ' A' ' 12' ' ' ASN . 0.4 OUTLIER -99.24 122.06 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.4 m-80 -82.16 -15.93 51.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.412 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -82.79 -35.57 26.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -110.78 -10.98 14.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.44 22.55 69.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.806 HG11 HG13 ' A' ' 46' ' ' VAL . 14.7 t -90.44 122.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.452 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.1 OUTLIER -108.8 141.41 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.498 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.2 t -152.54 124.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.554 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.92 145.77 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.804 ' CE1' HG21 ' A' ' 45' ' ' THR . 2.0 m-85 -140.1 128.15 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -89.2 113.19 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -137.56 122.88 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.39 96.8 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.539 ' O ' HD12 ' A' ' 29' ' ' LEU . 29.9 p -132.97 111.83 13.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -85.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mtm -73.19 -29.41 62.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.02 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.85 -35.44 44.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.784 HD11 ' CD2' ' A' ' 6' ' ' TYR . 15.4 mt -51.85 -32.88 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.183 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.26 -24.01 30.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 34' ' ' VAL . 88.3 t -66.36 135.86 94.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.98 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.31 -35.17 73.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.02 HG21 HG22 ' A' ' 28' ' ' THR . 78.3 t -82.56 -45.07 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.642 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.92 -47.64 82.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.766 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.22 -48.22 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.608 1.192 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -61.52 -34.87 76.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.862 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.73 -49.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.837 HD11 HD11 ' B' ' 239' ' ' ILE . 22.9 mm -63.44 -45.06 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -69.07 -40.5 78.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.6 t70 -57.87 -45.18 86.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.862 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -62.4 -53.77 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.827 HG11 HD21 ' B' ' 230' ' ' LEU . 1.4 t -58.78 -47.53 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.5 m120 -55.58 -36.25 66.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.804 HG21 ' CE1' ' A' ' 21' ' ' TYR . 2.8 m -73.55 -40.39 64.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.806 HG13 HG11 ' A' ' 17' ' ' VAL . 5.9 t -60.83 -44.29 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -73.55 -31.2 63.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 m -53.92 -32.17 52.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -30.17 64.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -88.76 -57.86 2.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.55 171.3 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER 54.01 101.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 53' ' ' ASN . 3.4 t-20 -76.41 134.31 39.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.44 -15.51 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.9 -74.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.653 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -94.19 148.61 22.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -94.92 148.48 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.6 t -126.24 -59.73 1.3 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 108.318 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.52 -108.99 3.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 60' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.525 0.202 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 60.73 59.21 10.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -122.54 155.38 36.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 204' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -101.85 107.58 18.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.4 p -147.75 162.23 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.654 ' CE2' ' ND2' ' A' ' 12' ' ' ASN . 3.9 m-85 -136.64 141.81 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.4 m -112.86 108.37 17.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.351 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 10' ' ' VAL . 46.8 t -105.95 115.86 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.502 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.4 m -104.62 146.46 28.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.771 HG12 HG21 ' B' ' 246' ' ' VAL . 2.1 t -139.86 114.1 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' B' ' 218' ' ' SER . 7.9 m -123.5 135.08 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.2 m-20 -96.15 117.83 31.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 213' ' ' ASN . . . . . 0.494 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -77.53 -14.64 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 1.5 t -82.15 -35.83 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -110.34 -5.29 15.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.39 1.056 . . . . 0.0 109.24 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.66 20.06 50.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.731 HG12 HG13 ' B' ' 246' ' ' VAL . 53.0 t -90.76 130.16 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 219' ' ' VAL . 0.1 OUTLIER -110.73 147.18 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.806 ' HB ' HG22 ' B' ' 246' ' ' VAL . 38.5 t -153.16 128.83 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.502 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -119.38 145.33 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.22 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -140.96 127.51 20.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -101.68 114.51 28.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.6 t -138.21 151.11 47.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.466 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.429 ' HB3' HG22 ' B' ' 205' ' ' THR . 0.0 OUTLIER -106.6 94.34 5.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.585 ' O ' HD12 ' B' ' 229' ' ' LEU . 24.9 p -133.77 108.43 11.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.45 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -83.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -74.78 -28.66 60.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.021 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.14 -37.68 55.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.472 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 39' ' ' ILE . 18.9 mt -52.53 -36.66 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 43' ' ' VAL . 26.0 mt -78.83 -23.99 44.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.2 t -69.1 135.75 89.36 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.766 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.0 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.99 -34.67 73.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.021 HG21 HG22 ' B' ' 228' ' ' THR . 48.5 t -82.4 -46.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.554 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.56 -45.34 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.543 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -54.56 -47.74 72.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 47.0 mt-10 -66.95 -35.19 79.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.726 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.04 -50.11 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.837 HD11 HD11 ' A' ' 39' ' ' ILE . 20.9 mm -63.47 -51.24 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 1.8 tmtt? -61.57 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.0 t70 -58.82 -45.3 90.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.995 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -62.31 -51.84 66.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.751 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.6 t -61.49 -44.68 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -55.68 -36.57 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 22.2 m -74.27 -42.67 59.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.995 HG23 ' O ' ' B' ' 242' ' ' LEU . 10.5 t -60.55 -39.83 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 247' ' ' ARG . . . . . 0.787 ' O ' HG22 ' B' ' 251' ' ' THR . 0.0 OUTLIER -73.09 -33.59 65.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 47.1 t -53.72 -41.34 66.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -29.77 62.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -66.94 -40.92 87.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.787 HG22 ' O ' ' B' ' 247' ' ' ARG . 0.1 OUTLIER -91.84 172.99 8.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 252' ' ' GLU . . . . . 0.446 ' N ' ' OG1' ' B' ' 251' ' ' THR . 0.5 OUTLIER -91.7 18.48 7.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -101.09 166.25 10.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -138.0 148.67 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -175.65 133.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.534 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -118.04 157.55 26.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 257' ' ' VAL . . . . . 0.443 HG13 ' O ' ' B' ' 257' ' ' VAL . 7.9 p -99.7 117.92 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.6 69.13 0.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 168.02 -64.93 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.45 0.167 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.95 80.14 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -104.03 169.23 8.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 0.799 . . . . 0.0 109.319 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.85 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.471 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 73.1 p -142.04 157.84 44.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.774 ' CD2' HD11 ' A' ' 29' ' ' LEU . 6.3 m-85 -132.22 138.25 47.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -111.74 115.98 29.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.731 HG22 HG22 ' B' ' 210' ' ' VAL . 75.7 t -108.81 133.01 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 95.8 m -127.22 132.78 50.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.082 HG22 HG22 ' B' ' 208' ' ' VAL . 2.5 t -125.82 123.77 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 17' ' ' VAL . 73.0 m -126.23 140.3 52.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.616 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.88 99.51 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -58.67 -15.53 12.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -71.38 -35.96 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 3.3 t30 -112.3 -10.57 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 72.0 11.19 74.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 11' ' ' THR . 73.6 t -88.28 145.3 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 19' ' ' VAL . 42.0 t -120.79 160.04 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.611 ' CG2' HG22 ' A' ' 46' ' ' VAL . 2.5 t -153.96 124.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.33 140.28 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.852 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.9 m-85 -141.03 128.45 21.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -87.13 112.96 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 23' ' ' THR . 10.5 t -137.64 117.33 13.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.7 pt-20 -89.39 96.58 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.1 p -131.73 116.3 15.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 0.0 110.39 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -88.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mmm -74.08 -28.98 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.024 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.1 -28.61 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.328 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.774 HD11 ' CD2' ' A' ' 6' ' ' TYR . 20.5 mt -57.86 -35.55 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.645 HD21 HG11 ' B' ' 243' ' ' VAL . 12.2 mt -82.9 -23.41 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 34' ' ' VAL . 69.5 t -64.37 134.81 96.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.87 -43.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.75 -37.15 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.626 1.203 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.024 HG21 HG22 ' A' ' 28' ' ' THR . 84.4 t -81.19 -44.92 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.35 -46.52 88.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.728 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.61 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 5.4 mt-10 -62.41 -34.27 76.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.619 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -70.1 -52.18 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.699 HG22 ' O ' ' B' ' 229' ' ' LEU . 33.5 mm -59.93 -43.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.82 -43.02 69.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.7 t70 -57.7 -44.66 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -62.79 -51.0 68.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.546 HG11 HD21 ' B' ' 230' ' ' LEU . 1.3 t -62.01 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.3 m120 -56.18 -35.62 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.852 HG21 ' CE1' ' A' ' 21' ' ' TYR . 1.8 m -73.2 -43.28 61.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.611 HG22 ' CG2' ' A' ' 19' ' ' VAL . 11.4 t -60.25 -42.14 89.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -72.68 -30.17 64.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -34.42 61.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.88 -28.84 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.175 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.96 85.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -118.35 171.51 8.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.371 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' A' ' 51' ' ' THR . 1.6 mt-10 -55.63 -64.46 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -111.85 154.25 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.52 72.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -161.42 -70.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -116.31 141.06 48.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 m -63.91 125.87 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.8 p -156.61 137.01 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 108.251 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.19 135.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.394 1.059 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 57.5 mtp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.497 0.189 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.18 55.97 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -117.79 155.76 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.78 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -147.59 160.58 42.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.066 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.499 ' CD2' HD11 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -137.34 146.49 44.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.8 m -123.24 107.8 12.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 1.082 HG22 HG22 ' A' ' 10' ' ' VAL . 31.5 t -101.56 117.44 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.575 HG23 ' CB ' ' B' ' 220' ' ' ASP . 0.9 OUTLIER -102.75 144.55 30.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.749 HG12 HG21 ' B' ' 246' ' ' VAL . 2.5 t -140.68 114.73 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.456 HG23 ' CA ' ' B' ' 218' ' ' SER . 52.7 m -128.32 138.13 52.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.614 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.5 m-20 -96.94 121.92 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 213' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -79.42 -15.9 57.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -83.02 -34.99 26.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -109.16 -8.45 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.23 16.2 53.1 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.809 HG12 HG13 ' B' ' 246' ' ' VAL . 53.1 t -86.95 125.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.468 ' O ' HG23 ' B' ' 219' ' ' VAL . 0.1 OUTLIER -111.25 145.43 38.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.945 ' HB ' HG22 ' B' ' 246' ' ' VAL . 4.6 t -152.88 126.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.575 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.48 146.24 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.412 ' CE2' HG21 ' B' ' 245' ' ' THR . 1.6 m-85 -140.98 128.28 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -100.14 115.61 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.4 t -137.71 148.71 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.34 94.84 5.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.518 ' O ' HD12 ' B' ' 229' ' ' LEU . 30.2 p -134.5 111.71 11.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -87.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.5 mmt -74.13 -28.5 61.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.074 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.18 -32.59 36.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.402 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 39' ' ' ILE . 18.7 mt -55.65 -35.92 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.546 HD21 HG11 ' A' ' 43' ' ' VAL . 23.4 mt -78.6 -25.1 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 89.0 t -65.07 134.33 95.97 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.728 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.06 -40.55 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.96 -36.07 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.074 HG21 HG22 ' B' ' 228' ' ' THR . 39.2 t -82.22 -45.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.87 -45.75 84.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.23 -48.16 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.4 OUTLIER -66.71 -35.16 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.887 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.0 OUTLIER -66.54 -50.99 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 29' ' ' LEU . 37.7 mm -61.79 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.38 -43.75 98.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.4 t70 -57.7 -45.23 85.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 1.037 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -61.96 -52.34 64.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.74 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.4 t -61.21 -44.4 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 244' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -55.62 -38.74 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.412 HG21 ' CE2' ' B' ' 221' ' ' TYR . 53.9 m -74.41 -38.01 63.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 1.037 HG23 ' O ' ' B' ' 242' ' ' LEU . 33.9 t -61.47 -45.29 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -73.62 -27.44 61.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 248' ' ' SER . . . . . 0.404 ' O ' ' O ' ' B' ' 251' ' ' THR . 45.0 t -55.0 -38.18 67.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.95 -23.1 59.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.41 -40.96 83.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 1.1 t -126.01 178.08 5.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 252' ' ' GLU . . . . . 0.495 ' N ' ' OG1' ' B' ' 251' ' ' THR . 2.1 pt-20 -93.8 50.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 253' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' B' ' 254' ' ' GLU . 8.1 t-20 -100.96 140.79 34.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 254' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' B' ' 255' ' ' HIS . 8.9 pt-20 38.84 -159.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 255' ' ' HIS . . . . . 0.423 ' N ' ' HG3' ' B' ' 254' ' ' GLU . 1.2 t-160 -141.49 167.56 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.636 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -90.24 142.8 27.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 257' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' B' ' 259' ' ' GLY . 9.0 p -98.66 125.94 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 29.7 t -67.49 78.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 259' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' B' ' 257' ' ' VAL . . . 37.74 86.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.163 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 260' ' ' TRP . . . . . 0.406 ' CB ' ' O ' ' B' ' 259' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtt . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.524 0.202 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.33 76.81 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 4.4 mptt -101.8 167.51 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.86 93.71 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 53.2 p -137.63 155.99 48.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' B' ' 212' ' ' ASN . 13.8 m-85 -135.15 139.16 44.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.395 1.059 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.767 HG22 ' OD1' ' A' ' 20' ' ' ASP . 54.3 m -115.96 117.02 28.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.5 128.64 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.474 HG23 ' CG ' ' A' ' 20' ' ' ASP . 2.0 m -119.57 123.76 44.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.95 HG22 HG22 ' B' ' 208' ' ' VAL . 4.2 t -121.69 118.64 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.764 HG23 ' O ' ' A' ' 17' ' ' VAL . 80.1 m -122.17 140.88 52.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 15.1 p30 -100.58 99.16 9.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.56 -15.33 6.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -76.4 -35.03 58.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.19 -3.93 15.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.9 12.09 34.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 11' ' ' THR . 75.7 t -89.57 143.99 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 48.0 t -120.05 157.91 27.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.765 ' HB ' HG22 ' A' ' 46' ' ' VAL . 37.1 t -154.38 128.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.767 ' OD1' HG22 ' A' ' 7' ' ' THR . 1.2 t0 -120.11 145.41 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.722 ' HE1' HG21 ' A' ' 45' ' ' THR . 3.5 m-85 -140.23 126.97 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -90.02 112.24 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -138.36 121.86 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -88.83 95.38 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.362 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.418 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 4.2 p -133.65 115.44 13.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.45 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -88.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -29.1 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.997 HG22 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -50.84 -22.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.416 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.711 ' O ' HG22 ' B' ' 239' ' ' ILE . 19.6 mt -61.49 -33.66 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 HG11 ' B' ' 243' ' ' VAL . 10.8 mt -82.68 -25.73 32.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.67 HG12 ' H ' ' A' ' 34' ' ' VAL . 73.5 t -59.6 133.34 88.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.0 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.94 -38.0 78.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.997 HG21 HG22 ' A' ' 28' ' ' THR . 84.3 t -79.84 -43.59 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.616 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.6 -44.9 92.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.758 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.99 -49.41 77.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -63.24 -34.82 78.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.878 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.3 t -68.8 -46.75 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.686 HG22 ' O ' ' B' ' 229' ' ' LEU . 29.2 mm -67.38 -46.03 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -66.55 -43.78 84.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 12.6 t70 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.878 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -66.13 -50.29 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.866 HG21 ' HB3' ' B' ' 229' ' ' LEU . 2.0 t -59.31 -45.36 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 1.2 m-80 -55.76 -37.45 68.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.722 HG21 ' HE1' ' A' ' 21' ' ' TYR . 12.7 m -72.73 -44.08 62.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.89 HG21 HG12 ' A' ' 10' ' ' VAL . 41.0 t -60.54 -41.73 88.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.345 1.028 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -72.71 -29.88 63.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -44.71 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.936 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -69.72 -30.56 68.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -42.61 -58.79 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -85.74 174.47 9.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.472 ' N ' ' OG1' ' A' ' 51' ' ' THR . 15.7 pt-20 -89.49 -41.64 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -116.96 134.78 54.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 55' ' ' HIS . 1.3 pm0 -117.59 -37.31 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 14.9 m80 50.7 -101.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.378 1.049 . . . . 0.0 109.601 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -99.49 133.76 43.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 57' ' ' VAL . 17.0 m -64.27 119.86 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.9 p -129.49 48.71 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 108.335 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 46.06 96.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.539 0.209 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 113.68 56.42 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -116.6 154.19 30.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 0.731 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.82 108.32 19.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.542 HG22 ' HB2' ' B' ' 224' ' ' GLU . 16.5 p -147.08 164.31 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.571 ' CD2' HD11 ' B' ' 229' ' ' LEU . 1.7 m-85 -137.83 146.61 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 71.4 m -124.83 108.32 11.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 0.95 HG22 HG22 ' A' ' 10' ' ' VAL . 73.1 t -98.12 124.28 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 1.4 m -108.1 148.86 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.772 HG12 HG21 ' B' ' 246' ' ' VAL . 1.6 t -138.98 113.13 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.589 HG23 ' HB2' ' B' ' 218' ' ' SER . 21.2 m -123.14 130.17 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.0 OUTLIER -98.19 99.26 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 213' ' ' ASN . . . . . 0.457 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -59.22 -14.06 9.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -79.85 -34.44 39.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.022 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -110.51 -4.47 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.83 12.29 34.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.454 ' HB ' ' ND2' ' B' ' 212' ' ' ASN . 71.9 t -90.03 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.589 ' HB2' HG23 ' B' ' 211' ' ' THR . 47.6 t -124.41 156.2 37.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.806 ' CG2' HG22 ' B' ' 246' ' ' VAL . 15.3 t -154.61 125.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.192 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.44 143.16 45.71 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.808 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.4 m-85 -139.93 128.55 23.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -102.83 114.68 29.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.0 t -138.25 142.14 39.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.542 ' HB2' HG22 ' B' ' 205' ' ' THR . 29.2 tt0 -97.63 95.1 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.508 ' O ' HD12 ' B' ' 229' ' ' LEU . 14.4 p -134.87 110.15 10.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.445 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.0 mtm -75.12 -28.23 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.062 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.48 -38.03 51.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.866 ' HB3' HG21 ' A' ' 43' ' ' VAL . 27.7 mt -52.48 -36.99 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 28.7 mt -79.36 -24.01 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 62.9 t -68.63 136.1 90.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.758 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.03 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.04 -34.99 74.14 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.062 HG21 HG22 ' B' ' 228' ' ' THR . 93.7 t -82.43 -46.57 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.562 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.508 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.23 -48.09 77.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -66.47 -35.53 80.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.711 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.33 -48.66 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 29' ' ' LEU . 25.8 mm -64.55 -50.57 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.8 t70 -58.18 -46.12 86.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.734 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -60.43 -49.92 75.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.1 t -63.8 -47.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.3 m120 -55.6 -36.92 67.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.808 HG21 ' HE1' ' B' ' 221' ' ' TYR . 1.6 m -74.32 -39.17 63.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.36 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.806 HG22 ' CG2' ' B' ' 219' ' ' VAL . 53.7 t -62.02 -43.81 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -26.9 61.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 17.8 t -53.37 -36.2 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.939 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.77 -33.25 66.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -70.83 -47.71 57.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 31.4 p -88.22 163.89 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.32 54.47 2.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -113.54 173.88 6.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.47 142.22 21.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 255' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' B' ' 255' ' ' HIS . 0.3 OUTLIER -170.45 146.19 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.598 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -111.62 158.03 19.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 4.3 m -64.41 154.04 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 26.0 m -147.42 132.32 18.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 108.294 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 94.47 -162.26 24.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.592 1.182 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.511 0.196 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.404 ' O ' ' HD2' ' A' ' 3' ' ' LYS . . . 108.2 71.55 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.52 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 1.4 mptt -106.12 169.48 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.291 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' GLU . . . -106.09 93.79 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.7 p -145.13 161.51 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.435 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' B' ' 212' ' ' ASN . 1.4 m-85 -137.64 142.77 41.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -113.85 108.24 16.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.853 HG22 HG22 ' B' ' 210' ' ' VAL . 49.5 t -103.63 112.6 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.664 HG23 ' OD1' ' A' ' 20' ' ' ASP . 94.7 m -107.45 123.65 48.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.893 HG22 ' CG2' ' B' ' 208' ' ' VAL . 4.2 t -120.73 123.04 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.536 HG23 ' CA ' ' A' ' 18' ' ' SER . 71.7 m -130.43 145.04 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.681 ' ND2' HG11 ' A' ' 46' ' ' VAL . 1.3 m-20 -99.3 122.37 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -80.32 -17.11 53.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -83.86 -35.79 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -110.91 -3.14 15.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.97 23.26 30.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.843 HG11 HG13 ' A' ' 46' ' ' VAL . 5.4 t -89.91 120.66 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.536 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -106.0 141.64 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.547 ' HB ' HG23 ' A' ' 46' ' ' VAL . 2.0 t -152.82 124.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.664 ' OD1' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.71 146.46 43.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 1.061 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.79 ' HE1' HG21 ' A' ' 45' ' ' THR . 2.2 m-85 -140.29 128.04 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.58 112.75 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -138.57 127.24 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 24' ' ' GLU . 4.1 tp10 -89.06 96.78 10.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.8 p -133.95 112.34 12.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -86.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -27.5 61.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.007 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.41 -30.62 30.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.869 ' HB3' HG21 ' B' ' 243' ' ' VAL . 21.1 mt -57.65 -36.79 72.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD21 HG11 ' B' ' 243' ' ' VAL . 24.2 mt -78.11 -28.5 48.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 34' ' ' VAL . 90.1 t -59.81 134.28 89.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.95 -40.69 85.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.007 HG21 HG22 ' A' ' 28' ' ' THR . 92.4 t -76.76 -44.12 33.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.8 -45.67 92.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.53 -48.73 80.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.68 -34.64 76.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.791 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -69.87 -52.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.735 HG22 ' O ' ' B' ' 229' ' ' LEU . 14.3 mm -60.73 -43.17 94.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.98 -41.24 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 4.9 t70 -57.1 -45.29 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -62.53 -53.1 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.878 HG11 HD21 ' B' ' 230' ' ' LEU . 1.3 t -60.24 -44.14 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.4 m120 -56.49 -37.72 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.79 HG21 ' HE1' ' A' ' 21' ' ' TYR . 16.2 m -71.41 -41.19 69.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.843 HG13 HG11 ' A' ' 17' ' ' VAL . 2.4 t -60.72 -45.83 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -73.06 -29.68 63.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -54.03 -37.86 64.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.01 -23.54 59.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.89 -62.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.465 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -75.54 174.22 9.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.35 1.031 . . . . 0.0 110.431 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' N ' ' OG1' ' A' ' 51' ' ' THR . 0.3 OUTLIER -67.76 -81.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.94 134.15 53.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -94.61 51.49 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.207 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.38 -59.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -104.45 140.72 37.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 p -84.38 153.81 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.71 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -37.69 -52.35 1.92 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 5.7 m95 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.6 mtp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.387 0.136 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -100.3 69.81 0.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.576 1.173 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.29 154.95 36.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 204' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.47 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.55 HG22 ' HB3' ' B' ' 224' ' ' GLU . 8.4 p -147.61 166.13 28.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.741 ' CG ' HD11 ' B' ' 229' ' ' LEU . 3.1 m-85 -137.18 142.16 42.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.0 m -113.23 107.28 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 0.893 ' CG2' HG22 ' A' ' 10' ' ' VAL . 53.4 t -111.25 114.47 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.462 HG23 ' O ' ' B' ' 219' ' ' VAL . 30.1 m -108.49 155.67 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.853 HG22 HG22 ' A' ' 8' ' ' VAL . 2.7 t -139.8 115.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 67.8 m -116.17 128.07 55.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.455 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' B' ' 215' ' ' ASN . 5.0 t30 -96.27 107.5 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.47 -13.74 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.563 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 1.6 t -67.25 -41.3 85.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.078 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 215' ' ' ASN . . . . . 0.632 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 5.6 t-20 -118.76 -4.8 10.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 73.07 20.27 79.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.463 ' CG1' HG13 ' B' ' 246' ' ' VAL . 2.1 t -82.32 146.04 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.583 ' O ' HG23 ' B' ' 219' ' ' VAL . 40.2 t -128.99 152.12 48.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 218' ' ' SER . 2.8 t -156.58 131.99 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.2 142.97 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -140.87 128.11 20.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.09 114.95 29.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 14.6 t -138.37 137.45 37.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.341 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.55 ' HB3' HG22 ' B' ' 205' ' ' THR . 2.7 pt-20 -89.25 94.07 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.563 ' O ' HD12 ' B' ' 229' ' ' LEU . 34.5 p -134.72 108.32 10.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.438 1.757 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.2 -28.72 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.063 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.25 -37.49 47.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.741 HD11 ' CG ' ' B' ' 206' ' ' TYR . 18.1 mt -52.11 -36.32 50.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.878 HD21 HG11 ' A' ' 43' ' ' VAL . 16.1 mt -81.03 -23.88 38.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 95.1 t -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.779 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.0 -43.34 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.58 -35.17 73.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.063 HG21 HG22 ' B' ' 228' ' ' THR . 75.4 t -82.31 -46.34 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.03 -43.49 92.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.518 ' CB ' ' HB3' ' A' ' 32' ' ' PRO . . . -55.93 -48.33 75.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 29.3 mt-10 -67.16 -35.81 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.944 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.9 t -66.36 -47.46 84.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.724 HG22 ' O ' ' A' ' 29' ' ' LEU . 16.3 mm -65.27 -51.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.41 -42.2 99.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -58.37 -44.69 88.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.944 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -64.9 -52.31 57.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.869 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.4 t -59.32 -43.41 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -56.47 -36.69 69.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 46.7 m -72.25 -44.77 62.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.773 HG21 HG12 ' B' ' 210' ' ' VAL . 2.9 t -61.13 -41.49 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -73.26 -26.89 61.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -44.0 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.92 -23.01 59.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -68.62 -31.48 70.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 18.7 p -103.69 140.26 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.464 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -48.46 -42.05 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -77.01 133.9 38.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.02 120.44 41.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -123.79 82.92 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.402 1.064 . . . . 0.0 109.657 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -110.95 149.01 31.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.81 156.09 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.17 -64.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -111.26 -142.8 9.11 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtm . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.444 0.164 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' A' ' 3' ' ' LYS . . . -170.4 88.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -104.36 170.1 8.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 0.725 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.45 93.51 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 66.6 p -144.75 164.88 29.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 2.4 m-85 -137.2 142.25 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m -115.81 113.7 23.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.339 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 HG22 ' B' ' 210' ' ' VAL . 54.2 t -105.92 126.06 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.69 HG23 ' OD1' ' A' ' 20' ' ' ASP . 7.2 m -119.86 124.35 45.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.041 HG22 HG22 ' B' ' 208' ' ' VAL . 12.2 t -123.26 124.32 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 17' ' ' VAL . 90.2 m -129.08 141.53 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.3 p30 -100.21 99.07 9.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.458 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -57.37 -16.69 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -34.9 60.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -110.71 -5.03 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.78 13.07 37.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 11' ' ' THR . 76.1 t -90.31 140.84 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -116.67 151.64 35.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.931 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.629 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.8 t -152.32 124.15 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.69 ' OD1' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -122.66 144.96 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.771 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.4 m-85 -140.09 127.76 21.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.31 113.89 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 t -136.56 126.74 26.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.03 95.98 10.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.3 p -134.16 114.21 12.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -89.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -27.49 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.072 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.19 -20.88 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.659 ' O ' HG22 ' B' ' 239' ' ' ILE . 18.0 mt -63.05 -36.21 82.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mt -80.47 -23.78 39.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 ' H ' ' A' ' 34' ' ' VAL . 79.2 t -61.85 134.74 94.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.522 ' HA ' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.01 -43.05 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.19 -42.3 90.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.072 HG21 HG22 ' A' ' 28' ' ' THR . 73.3 t -74.35 -44.6 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.82 -47.59 82.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.735 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.5 -48.83 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 6.2 mt-10 -61.32 -34.11 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 HD12 ' A' ' 42' ' ' LEU . 1.1 t -70.35 -52.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.778 HG22 ' O ' ' B' ' 229' ' ' LEU . 28.4 mm -59.56 -43.25 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.198 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -71.19 -40.9 70.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.9 t70 -59.81 -45.33 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.773 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -62.08 -49.2 76.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.618 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.8 t -64.05 -46.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.5 m120 -56.13 -36.1 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.196 . . . . 0.0 109.306 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.771 HG21 ' CE1' ' A' ' 21' ' ' TYR . 98.5 m -72.2 -42.28 65.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 42' ' ' LEU . 83.1 t -60.77 -45.86 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.41 -29.87 62.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -54.63 -32.84 59.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.48 -29.42 70.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -149.65 107.0 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 p -109.63 175.07 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -47.89 -40.62 22.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.598 1.187 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.1 m-20 -83.76 173.87 10.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER 33.29 38.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' ASN . 1.5 t-80 -174.97 -168.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.653 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -113.06 155.55 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' H ' HG22 ' A' ' 57' ' ' VAL . 2.6 m -65.85 128.99 29.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -141.05 -52.16 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.517 ' C ' ' CG ' ' A' ' 60' ' ' TRP . . . -168.92 168.45 41.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.517 ' CG ' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.5 mtm . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.511 0.196 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 132.03 68.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.01 156.18 29.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.34 108.19 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.2 p -147.8 160.02 43.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.659 ' CG ' HD11 ' B' ' 229' ' ' LEU . 1.0 OUTLIER -134.22 145.74 49.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 111.05 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.0 m -121.19 108.68 14.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 1.041 HG22 HG22 ' A' ' 10' ' ' VAL . 53.6 t -103.74 126.45 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.588 HG23 ' HA ' ' B' ' 220' ' ' ASP . 2.5 m -115.58 150.2 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.592 HG23 HD22 ' B' ' 242' ' ' LEU . 1.7 t -140.4 114.48 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.488 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 6.1 m -119.98 131.0 55.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.58 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -96.63 98.56 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 213' ' ' ASN . . . . . 0.499 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -59.64 -14.59 14.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -79.75 -34.93 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 215' ' ' ASN . . . . . 0.414 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.4 t30 -110.72 -1.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.18 14.19 24.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 215' ' ' ASN . 77.1 t -90.02 144.28 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.488 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 40.3 t -131.2 150.05 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.986 ' CG2' HG22 ' B' ' 246' ' ' VAL . 15.1 t -153.75 130.93 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.588 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -110.87 147.81 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.698 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 7.1 m-85 -137.49 125.24 22.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -100.45 113.58 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -139.52 145.13 38.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.07 95.22 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.532 ' O ' HD12 ' B' ' 229' ' ' LEU . 18.6 p -134.36 110.33 11.53 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -84.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.05 -29.18 60.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.076 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.23 -35.06 48.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.778 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.5 mt -52.33 -33.46 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.476 HD21 HG11 ' A' ' 43' ' ' VAL . 19.4 mt -83.46 -24.05 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.56 HG12 ' H ' ' B' ' 234' ' ' VAL . 90.0 t -65.26 132.78 95.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.735 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.06 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -59.58 -37.05 77.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.076 HG21 HG22 ' B' ' 228' ' ' THR . 45.6 t -81.69 -47.26 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.549 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -62.8 -45.2 93.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.28 -46.8 79.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.8 tt0 -67.53 -35.61 79.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.891 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.3 t -65.91 -54.44 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.739 HD11 HD11 ' A' ' 39' ' ' ILE . 19.9 mm -57.62 -51.05 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.04 -44.83 94.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.7 t70 -57.93 -44.08 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.891 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -58.46 -50.01 75.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.14 -47.01 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.488 HG21 ' CE2' ' B' ' 221' ' ' TYR . 2.2 m -74.14 -42.22 60.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.986 HG22 ' CG2' ' B' ' 219' ' ' VAL . 75.8 t -60.9 -41.58 89.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -72.82 -29.97 63.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.2 p -53.54 -34.5 58.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -28.24 69.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.38 -41.84 55.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 8.0 p -86.87 150.89 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.45 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -63.04 -37.77 88.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -70.42 167.03 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.3 166.65 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.73 139.23 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -117.01 158.57 23.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 13.1 p -66.41 146.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.86 -75.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -92.24 136.59 13.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.601 0.238 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.4 ' C ' ' HD2' ' A' ' 3' ' ' LYS . . . -114.11 71.51 0.24 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.453 1.096 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -104.79 169.11 8.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.69 93.69 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 24' ' ' GLU . 64.9 p -140.25 159.82 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.702 ' CD2' HD11 ' A' ' 29' ' ' LEU . 4.2 m-85 -137.15 142.05 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 m -113.14 109.73 19.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.817 HG22 HG22 ' B' ' 210' ' ' VAL . 47.0 t -107.38 115.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' CA ' ' A' ' 20' ' ' ASP . 85.6 m -114.91 138.15 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.042 HG22 HG22 ' B' ' 208' ' ' VAL . 18.6 t -127.96 131.11 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' VAL . 52.5 m -133.42 142.17 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.12 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.624 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.5 m-20 -100.73 109.39 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -68.45 -13.53 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.9 OUTLIER -82.76 -34.76 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.18 -2.95 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 59.61 13.94 26.32 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 11' ' ' THR . 61.6 t -88.17 140.76 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.417 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 41.5 t -120.34 157.52 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.924 ' HB ' HG22 ' A' ' 46' ' ' VAL . 1.2 t -155.35 125.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' CA ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -118.09 140.65 49.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CE2' HG21 ' A' ' 45' ' ' THR . 1.8 m-85 -140.92 128.09 20.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -96.31 112.4 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -137.79 124.26 20.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HB3' HG22 ' A' ' 5' ' ' THR . 5.2 pm0 -89.19 95.77 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.49 ' O ' HD12 ' A' ' 29' ' ' LEU . 1.5 p -132.96 113.81 13.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -86.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.839 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.95 -37.15 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.73 ' O ' HG22 ' B' ' 239' ' ' ILE . 17.7 mt -51.63 -32.31 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.42 -25.93 30.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 34' ' ' VAL . 89.6 t -63.24 136.16 96.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.01 -42.08 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.45 -36.42 75.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.839 HG21 HG22 ' A' ' 28' ' ' THR . 41.7 t -82.29 -44.95 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.33 -46.81 84.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.729 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.59 -49.65 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.1 mt-10 -62.78 -35.32 79.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.943 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -68.07 -51.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.583 ' HB ' ' HB1' ' B' ' 235' ' ' ALA . 1.3 mm -61.36 -48.22 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -65.09 -43.86 90.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.608 1.192 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.5 t0 -57.77 -44.5 86.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.943 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -63.81 -54.25 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.662 ' CG2' HD13 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -58.17 -46.4 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.5 m120 -55.45 -36.66 66.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.527 HG21 ' CE2' ' A' ' 21' ' ' TYR . 78.6 m -73.43 -41.89 62.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 42' ' ' LEU . 14.8 t -60.82 -43.22 94.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 51' ' ' THR . 4.4 mtt180 -72.73 -27.65 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.0 t -53.79 -39.42 65.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -74.39 -22.6 59.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.62 -39.76 44.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 47' ' ' ARG . 19.1 p -94.39 175.37 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.349 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -49.0 177.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -58.13 149.44 23.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.364 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.2 140.97 30.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -164.52 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.615 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.57 151.21 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.27 151.12 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.6 p -161.37 44.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.36 -146.24 16.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.433 0.159 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 49.28 67.31 1.8 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.66 154.11 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 204' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.68 108.4 19.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.44 165.72 30.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.56 1.163 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.624 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.4 m-85 -136.9 146.69 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 93.5 m -124.23 109.27 13.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 1.042 HG22 HG22 ' A' ' 10' ' ' VAL . 55.8 t -103.32 126.62 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 4.2 m -113.39 148.64 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.817 HG22 HG22 ' A' ' 8' ' ' VAL . 2.0 t -140.41 114.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 55.1 m -119.49 131.75 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.379 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.9 m-20 -97.35 98.99 10.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 213' ' ' ASN . . . . . 0.48 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.89 -12.46 17.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -73.75 -39.43 64.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -113.61 -6.39 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.88 11.36 73.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.593 1.183 . . . . 0.0 111.076 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.404 HG12 HG13 ' B' ' 246' ' ' VAL . 42.4 t -81.33 142.84 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.463 ' C ' ' CG2' ' B' ' 219' ' ' VAL . 46.7 t -132.43 149.68 52.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.889 ' CG2' HG22 ' B' ' 246' ' ' VAL . 5.8 t -153.85 138.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.476 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -116.89 148.4 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.711 ' CE1' HD23 ' B' ' 242' ' ' LEU . 3.6 m-85 -137.39 125.58 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -101.77 112.39 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 4.8 t -138.15 151.81 48.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 2.0 tm-20 -109.23 93.16 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.515 ' O ' HD12 ' B' ' 229' ' ' LEU . 3.2 p -134.88 108.93 10.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 226' ' ' PRO . . . . . 0.481 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.1 Cg_endo -75.1 -83.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 227' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.75 -30.07 62.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 228' ' ' THR . . . . . 0.968 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.72 -33.32 34.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.662 HD13 ' CG2' ' A' ' 43' ' ' VAL . 17.1 mt -55.72 -41.43 73.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.31 -24.53 60.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.6 t -66.75 135.0 94.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.729 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.09 -42.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.528 1.804 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.29 -34.23 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 0.968 HG21 HG22 ' B' ' 228' ' ' THR . 97.7 t -82.15 -47.03 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.583 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.19 -44.11 89.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.78 -46.75 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 19.2 mt-10 -67.08 -35.72 80.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.881 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.8 t -66.38 -54.65 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.73 HG22 ' O ' ' A' ' 29' ' ' LEU . 17.4 mm -57.01 -51.3 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -63.24 -44.52 94.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.3 t70 -57.88 -44.29 86.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.881 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -58.93 -51.8 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 29' ' ' LEU . 1.6 t -65.84 -44.92 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -56.43 -37.36 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.417 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 2.1 m -73.86 -43.22 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.377 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.889 HG22 ' CG2' ' B' ' 219' ' ' VAL . 95.6 t -60.73 -38.81 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -73.36 -33.51 65.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 248' ' ' SER . . . . . 0.404 ' O ' ' O ' ' B' ' 253' ' ' ASN . 25.7 m -54.25 -31.72 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -62.96 -37.51 87.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -53.03 -54.44 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.7 OUTLIER -77.9 174.65 10.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 252' ' ' GLU . . . . . 0.458 ' N ' ' OG1' ' B' ' 251' ' ' THR . 38.9 mm-40 -73.54 -25.3 60.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 253' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' B' ' 248' ' ' SER . 2.4 t-20 -77.0 133.8 39.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -111.06 -179.99 3.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -157.98 101.55 1.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.57 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.05 141.5 32.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.7 p -100.13 155.13 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 28.3 p -146.01 58.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.381 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 41.51 30.89 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 23.0 m0 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mtp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.524 0.202 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.41 104.76 0.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -106.25 168.93 8.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 0.788 . . . . 0.0 109.277 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.62 93.61 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 24' ' ' GLU . 56.0 p -140.5 158.27 44.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.75 ' CE2' ' ND2' ' B' ' 212' ' ' ASN . 8.6 m-85 -136.57 139.47 42.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -114.06 113.83 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.768 HG22 HG22 ' B' ' 210' ' ' VAL . 55.7 t -104.18 120.82 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 24.8 m -112.78 130.64 56.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.011 HG22 HG22 ' B' ' 208' ' ' VAL . 2.7 t -125.72 119.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.537 HG23 ' CA ' ' A' ' 18' ' ' SER . 59.7 m -124.16 142.04 51.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.648 ' O ' ' N ' ' A' ' 16' ' ' GLY . 4.9 m-20 -99.66 99.01 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.459 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -61.17 -14.31 24.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.1 p -82.26 -36.27 27.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 t30 -111.15 2.13 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.79 17.46 9.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.382 1.051 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG12 HG13 ' A' ' 46' ' ' VAL . 46.5 t -90.43 120.28 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.537 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -102.53 151.83 21.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.025 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.79 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.6 t -153.47 126.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -121.91 141.1 51.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.641 ' CE2' HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -141.3 128.85 21.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.57 113.66 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.4 t -136.64 121.36 18.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.592 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER -89.43 96.9 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.507 ' O ' HD12 ' A' ' 29' ' ' LEU . 12.6 p -132.42 113.68 14.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.54 -28.8 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.017 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.16 -32.21 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.761 ' O ' HG22 ' B' ' 239' ' ' ILE . 15.0 mt -53.24 -31.55 43.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.71 -29.23 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.628 HG12 ' H ' ' A' ' 34' ' ' VAL . 76.9 t -57.77 134.58 83.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.96 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.39 -37.82 78.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.017 HG21 HG22 ' A' ' 28' ' ' THR . 98.8 t -79.34 -44.05 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.622 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.73 -45.23 90.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.734 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -60.61 -49.87 75.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 27.7 mt-10 -62.94 -33.66 75.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.909 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.3 t -70.44 -47.75 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.635 HG22 ' O ' ' B' ' 229' ' ' LEU . 8.5 mm -66.18 -42.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -70.54 -44.46 67.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.8 t70 -57.07 -45.44 83.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.038 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -63.07 -53.42 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.5 t -57.7 -47.78 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.3 m120 -56.52 -35.19 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.641 HG21 ' CE2' ' A' ' 21' ' ' TYR . 5.6 m -74.46 -42.79 58.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.389 1.056 . . . . 0.0 110.409 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 42' ' ' LEU . 6.3 t -60.86 -40.18 84.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -73.56 -31.47 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.504 ' O ' HG22 ' A' ' 51' ' ' THR . 2.4 p -53.79 -44.9 70.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.08 -27.81 68.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -90.09 61.42 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 48' ' ' SER . 3.1 t -126.33 -179.52 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' N ' ' OG1' ' A' ' 51' ' ' THR . 0.3 OUTLIER -44.63 -61.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 51' ' ' THR . 2.4 p-10 -110.41 135.16 51.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -79.22 -176.95 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.48 -74.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 5.2 p-10 -105.23 148.41 27.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 p -98.5 152.99 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.14 95.37 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 108.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.42 -113.6 4.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.7 mtm . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.569 0.224 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -58.89 98.42 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.83 157.72 29.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.737 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 204' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.15 107.91 19.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 45.1 p -147.94 165.8 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.62 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -135.44 145.84 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.6 m -116.71 106.73 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 1.011 HG22 HG22 ' A' ' 10' ' ' VAL . 55.6 t -105.24 117.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.476 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.7 m -109.32 146.32 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.768 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 t -140.02 113.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 40.8 m -125.18 132.56 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.75 ' ND2' ' CE2' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -96.48 112.73 24.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 213' ' ' ASN . . . . . 0.419 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -71.44 -14.49 62.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -82.76 -35.97 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -110.45 0.64 17.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 53.64 19.48 9.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.419 1.075 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.644 ' CG1' HG13 ' B' ' 246' ' ' VAL . 25.9 t -89.83 120.19 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.489 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.45 138.63 47.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.82 ' CG2' HG22 ' B' ' 246' ' ' VAL . 17.2 t -149.31 137.57 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.528 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -117.91 149.15 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.763 ' CD1' HD23 ' B' ' 242' ' ' LEU . 3.2 m-85 -138.06 126.01 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.37 113.32 26.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.8 148.67 44.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.25 94.26 5.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 1.8 p -134.59 111.49 11.52 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 110.459 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -85.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 36.5 mmt -73.7 -28.67 61.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 228' ' ' THR . . . . . 0.852 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.02 -36.45 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 39' ' ' ILE . 26.6 mt -53.89 -37.67 63.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.28 -26.46 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 61.3 t -65.07 134.06 95.89 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.734 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.05 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.24 -34.95 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 0.852 HG21 HG22 ' B' ' 228' ' ' THR . 87.7 t -81.7 -45.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.594 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -66.18 -42.53 88.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -57.6 -48.28 79.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 2.5 tt0 -66.51 -35.43 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.94 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.5 t -66.11 -55.18 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 29' ' ' LEU . 17.3 mm -57.1 -51.04 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.98 -43.9 97.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.7 t70 -57.35 -44.56 84.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.94 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -59.15 -52.79 64.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.57 HG21 HD13 ' A' ' 29' ' ' LEU . 2.1 t -64.22 -45.2 96.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.4 m120 -55.95 -38.73 70.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.47 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 1.3 m -74.48 -36.63 63.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.82 HG22 ' CG2' ' B' ' 219' ' ' VAL . 2.5 t -60.96 -45.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -73.53 -30.66 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 9.4 t -54.17 -38.95 66.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.29 -25.56 66.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -64.21 -36.26 83.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -104.39 172.04 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 252' ' ' GLU . . . . . 0.456 ' N ' ' OG1' ' B' ' 251' ' ' THR . 14.0 pt-20 -101.1 24.02 10.0 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.538 1.149 . . . . 0.0 110.224 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -98.7 161.14 13.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.81 159.13 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -171.57 -62.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -77.4 153.43 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 257' ' ' VAL . . . . . 0.723 HG21 ' CD1' ' B' ' 260' ' ' TRP . 1.5 p -99.34 156.65 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 258' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' B' ' 259' ' ' GLY . 18.8 p -103.3 -42.87 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 259' ' ' GLY . . . . . 0.441 ' N ' ' SG ' ' B' ' 258' ' ' CYS . . . -157.14 135.75 4.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 260' ' ' TRP . . . . . 0.723 ' CD1' HG21 ' B' ' 257' ' ' VAL . 5.1 m0 . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.487 0.184 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.01 78.87 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.056 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.508 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -106.37 167.71 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 0.766 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.19 93.85 4.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.3 p -138.92 155.42 48.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 7.1 m-85 -133.38 136.78 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.588 HG22 ' OD1' ' A' ' 20' ' ' ASP . 15.6 m -113.75 115.32 27.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 HG22 ' B' ' 210' ' ' VAL . 54.9 t -100.6 124.38 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.519 HG23 ' CB ' ' A' ' 20' ' ' ASP . 2.0 m -114.37 133.19 55.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.945 HG22 HG22 ' B' ' 208' ' ' VAL . 3.6 t -129.79 122.71 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 17' ' ' VAL . 87.7 m -127.67 142.45 51.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.9 101.45 12.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -60.38 -13.37 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.237 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.7 OUTLIER -81.48 -35.8 30.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.71 -1.38 16.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 58.36 15.35 23.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 11' ' ' THR . 53.5 t -90.32 137.66 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 19' ' ' VAL . 47.4 t -119.06 155.7 31.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.91 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.6 t -155.9 132.95 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.588 ' OD1' HG22 ' A' ' 7' ' ' THR . 3.4 t0 -124.94 144.76 50.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.48 ' CE1' HG21 ' A' ' 45' ' ' THR . 0.8 OUTLIER -139.92 127.96 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -94.45 113.43 25.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -136.55 126.95 26.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -88.52 95.18 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 13.9 p -134.92 116.4 12.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -90.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -27.2 60.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.028 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -52.77 -18.64 1.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' O ' HG22 ' B' ' 239' ' ' ILE . 24.1 mt -65.07 -41.59 94.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.9 -26.89 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 34' ' ' VAL . 89.9 t -57.77 134.94 83.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.97 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.377 1.725 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.63 -35.59 72.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.028 HG21 HG22 ' A' ' 28' ' ' THR . 8.4 t -81.91 -45.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.65 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.44 -46.73 84.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.738 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.66 -48.83 79.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.2 tt0 -64.74 -34.88 79.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.856 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.8 -47.69 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.745 HG22 ' O ' ' B' ' 229' ' ' LEU . 34.2 mm -65.07 -46.27 91.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.28 -44.64 78.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t70 -57.87 -45.0 86.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -63.67 -52.67 59.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.647 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.5 t -57.71 -48.99 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -56.12 -34.36 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.48 HG21 ' CE1' ' A' ' 21' ' ' TYR . 1.5 m -71.18 -46.65 60.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 42' ' ' LEU . 3.4 t -60.99 -41.57 89.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 51' ' ' THR . 19.8 mtp180 -73.45 -30.19 63.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -40.51 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -73.51 -26.31 60.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -78.24 -41.15 35.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 47' ' ' ARG . 31.1 p -92.44 155.28 17.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -70.18 -44.26 69.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -68.11 170.8 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.66 165.31 29.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.188 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.2 m80 63.03 -83.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.63 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -99.01 138.6 35.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -64.35 157.83 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -69.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.32 54.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.8 mtm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.508 0.194 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 60.79 51.12 60.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.12 . . . . 0.0 111.104 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -116.09 153.48 31.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 204' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.24 107.35 18.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.576 HG22 ' HB2' ' B' ' 224' ' ' GLU . 21.7 p -145.95 164.16 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.811 ' CG ' HD11 ' B' ' 229' ' ' LEU . 2.5 m-85 -137.78 143.55 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 21.5 m -122.05 108.22 13.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 0.945 HG22 HG22 ' A' ' 10' ' ' VAL . 78.6 t -99.19 122.7 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.517 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.6 m -107.37 146.37 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.83 HG12 HG21 ' B' ' 246' ' ' VAL . 3.5 t -139.88 113.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 52.7 m -126.48 134.44 50.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.629 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -97.13 115.17 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -13.51 61.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.441 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -83.05 -36.05 25.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.982 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 215' ' ' ASN . . . . . 0.414 ' ND2' ' OD1' ' B' ' 250' ' ' ASP . 2.3 t30 -110.33 -1.51 17.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.46 16.83 16.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.74 HG12 HG13 ' B' ' 246' ' ' VAL . 43.0 t -88.09 125.79 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.423 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.65 148.07 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.745 ' HB ' HG22 ' B' ' 246' ' ' VAL . 69.2 t -153.11 134.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.517 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.7 145.94 49.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.562 ' CE2' HG21 ' B' ' 245' ' ' THR . 1.7 m-85 -140.61 128.16 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -103.88 115.46 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 7.5 t -138.52 145.21 40.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.576 ' HB2' HG22 ' B' ' 205' ' ' THR . 1.8 tm-20 -94.58 93.65 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 110.303 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.602 ' O ' HD12 ' B' ' 229' ' ' LEU . 12.1 p -134.5 104.98 10.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -80.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.43 1.753 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -29.36 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.015 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.15 -38.97 55.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.811 HD11 ' CG ' ' B' ' 206' ' ' TYR . 16.8 mt -51.71 -34.21 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.381 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.584 HD21 HG11 ' A' ' 43' ' ' VAL . 17.4 mt -82.92 -22.72 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 99.6 t -69.43 136.03 88.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.738 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.93 -42.6 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.6 -34.76 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.015 HG21 HG22 ' B' ' 228' ' ' THR . 80.6 t -82.03 -46.65 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.536 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.03 -45.61 84.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.53 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.22 -48.34 74.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.546 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -67.98 -34.98 77.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.89 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.1 t -66.24 -52.83 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.65 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 4.0 mm -60.02 -51.1 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.214 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.2 OUTLIER -62.26 -44.99 95.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 13.8 t0 -57.23 -45.53 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.932 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.4 OUTLIER -63.35 -52.52 61.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.5 t -60.24 -44.53 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.6 m120 -56.52 -36.87 69.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.562 HG21 ' CE2' ' B' ' 221' ' ' TYR . 63.2 m -71.43 -46.06 61.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.932 HG23 ' O ' ' B' ' 242' ' ' LEU . 3.8 t -60.86 -37.07 75.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -34.2 64.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 4.3 m -53.73 -46.07 70.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -24.97 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 250' ' ' ASP . . . . . 0.414 ' OD1' ' ND2' ' B' ' 215' ' ' ASN . 43.2 t0 -47.76 -37.1 12.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -103.29 171.52 7.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 252' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' B' ' 251' ' ' THR . 0.0 OUTLIER -72.73 -8.65 56.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -93.14 134.44 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.6 54.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -77.89 136.95 38.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -116.27 156.92 25.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.47 147.27 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.077 . . . . 0.0 109.287 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -89.46 158.44 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -37.71 -77.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 28.8 m95 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.458 0.17 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' C ' ' HD3' ' A' ' 3' ' ' LYS . . . -178.35 -52.04 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 2' ' ' GLY . 14.4 mmtt -104.76 169.75 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.206 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.434 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.12 93.37 4.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.684 HG22 ' CG ' ' A' ' 24' ' ' GLU . 70.6 p -136.16 165.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.599 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.1 144.28 43.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -119.45 108.67 14.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 110.407 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.471 HG12 HD21 ' A' ' 42' ' ' LEU . 74.5 t -100.68 128.73 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' VAL . 17.0 m -124.1 129.16 50.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.026 HG22 HG22 ' B' ' 208' ' ' VAL . 2.9 t -124.27 126.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 99.9 m -129.9 137.45 50.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.591 ' O ' ' N ' ' A' ' 16' ' ' GLY . 5.0 p30 -100.37 98.96 9.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -56.81 -16.1 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -76.7 -34.98 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.29 -4.33 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.44 14.56 35.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 41.2 t -90.58 127.68 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.509 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 1.0 OUTLIER -114.63 147.98 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.066 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.902 ' CG2' HG22 ' A' ' 46' ' ' VAL . 34.4 t -147.49 154.85 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.507 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -134.76 147.55 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.742 ' CE1' HD23 ' A' ' 42' ' ' LEU . 2.9 m-85 -138.63 126.37 22.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -105.4 111.97 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.262 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -138.27 139.87 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.684 ' CG ' HG22 ' A' ' 5' ' ' THR . 28.5 mt-10 -90.74 94.12 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 p -133.6 110.74 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -86.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -27.77 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.973 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.38 -24.26 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.727 ' HB3' HG21 ' B' ' 243' ' ' VAL . 27.2 mt -61.95 -37.3 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mt -81.45 -23.44 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.663 HG12 ' H ' ' A' ' 34' ' ' VAL . 74.6 t -62.12 133.66 94.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.06 -44.12 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.973 HG21 HG22 ' A' ' 28' ' ' THR . 78.4 t -80.15 -44.51 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.709 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.84 -41.86 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -61.81 -49.44 76.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.4 mt-10 -64.31 -34.44 78.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.884 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.4 t -69.87 -53.51 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.657 HG22 ' O ' ' B' ' 229' ' ' LEU . 14.9 mm -57.34 -47.63 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -66.83 -44.94 79.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.9 t70 -57.53 -44.91 85.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -59.35 -51.35 70.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.577 HG21 HD13 ' B' ' 229' ' ' LEU . 2.1 t -64.76 -48.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.7 m120 -57.31 -36.73 71.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.55 HG21 ' CE2' ' A' ' 21' ' ' TYR . 3.5 m -73.75 -44.62 55.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.902 HG22 ' CG2' ' A' ' 19' ' ' VAL . 59.3 t -60.23 -40.62 84.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 51' ' ' THR . 20.4 mtp180 -73.94 -31.92 63.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.411 ' HB2' ' CB ' ' A' ' 54' ' ' GLU . 12.7 p -54.92 -39.13 68.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.974 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.41 -27.81 66.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.77 -31.13 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 47' ' ' ARG . 27.2 p -86.31 140.68 29.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.46 -58.89 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 110.28 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.06 134.21 52.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.158 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.4 pt-20 -107.2 65.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -159.79 -62.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.651 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -88.26 141.44 28.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -95.0 142.8 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.2 p -126.05 -46.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 108.336 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.99 -156.57 9.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 47.2 m95 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.7 mtm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.537 0.208 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 77.28 55.62 4.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.2 156.46 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.35 107.59 18.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 16.9 p -147.9 161.43 41.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.549 ' CG ' HD11 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -136.32 148.38 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.0 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.7 m -127.5 109.13 11.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 10' ' ' VAL . 54.1 t -102.82 126.29 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.422 HG23 ' CB ' ' B' ' 220' ' ' ASP . 2.0 m -112.56 147.59 36.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.984 HG12 HG21 ' B' ' 246' ' ' VAL . 5.7 t -139.81 115.17 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.5 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 5.6 m -124.97 131.09 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.55 98.9 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 213' ' ' ASN . . . . . 0.444 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 1.0 OUTLIER -58.91 -15.42 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.434 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -78.73 -34.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -109.72 -3.45 16.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.5 12.98 35.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.456 HG12 HG13 ' B' ' 246' ' ' VAL . 70.9 t -89.73 144.52 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.5 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.3 t -127.68 154.84 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.943 ' HB ' HG22 ' B' ' 246' ' ' VAL . 51.3 t -155.23 127.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.422 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.39 143.56 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.702 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.7 m-85 -140.2 127.93 21.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -101.68 114.34 28.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 110.222 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 223' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 206' ' ' TYR . 13.8 t -138.32 149.66 45.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.072 . . . . 0.0 110.366 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.46 94.7 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.63 ' O ' HD12 ' B' ' 229' ' ' LEU . 12.0 p -133.52 106.59 11.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.96 -82.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.548 1.815 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -74.23 -29.97 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.022 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -53.77 -39.1 65.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.9 mt -51.57 -34.88 38.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.38 -25.91 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 88.3 t -65.1 135.96 96.49 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.73 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.47 -35.06 74.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.022 HG21 HG22 ' B' ' 228' ' ' THR . 70.6 t -82.1 -46.55 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.586 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.2 -43.74 94.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.89 -48.2 78.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.2 mm-40 -70.55 -34.98 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.943 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.7 t -68.87 -36.99 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.709 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 2.9 mm -77.52 -45.65 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -67.26 -43.88 80.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 30.4 t0 -57.69 -44.98 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.984 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.2 OUTLIER -63.38 -48.65 76.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -62.85 -47.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.31 -32.72 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.702 HG21 ' HE1' ' B' ' 221' ' ' TYR . 50.0 m -73.74 -43.3 59.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.984 HG21 HG12 ' B' ' 210' ' ' VAL . 4.5 t -62.96 -47.27 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 247' ' ' ARG . . . . . 0.443 ' O ' HG23 ' B' ' 251' ' ' THR . 0.0 OUTLIER -74.05 -25.67 59.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.1 m -55.39 -38.25 68.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.76 -31.24 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.83 -19.31 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.443 HG23 ' O ' ' B' ' 247' ' ' ARG . 32.4 p -107.65 148.65 29.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -40.96 -47.9 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -97.61 133.82 41.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -107.05 52.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.63 146.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -111.7 140.09 46.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.3 153.1 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.91 -49.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 108.385 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 170.47 -96.87 0.12 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 28.9 m95 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 mtp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.541 0.21 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.406 ' C ' ' HD2' ' A' ' 3' ' ' LYS . . . -136.31 98.11 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 2' ' ' GLY . 3.8 mptp? -106.7 166.6 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.4 93.4 4.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 p -140.3 165.87 26.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' HD11 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -138.07 143.57 40.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 m -121.9 107.55 12.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.731 HG22 HG22 ' B' ' 210' ' ' VAL . 40.9 t -95.17 113.28 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.859 HG23 ' CG ' ' A' ' 20' ' ' ASP . 1.3 m -101.12 122.68 44.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.843 HG22 HG22 ' B' ' 208' ' ' VAL . 16.8 t -123.06 119.9 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.555 HG23 ' CA ' ' A' ' 18' ' ' SER . 79.0 m -129.17 144.43 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.426 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.657 HD21 HG11 ' A' ' 46' ' ' VAL . 1.4 m-20 -98.84 120.28 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -80.82 -15.72 55.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.54 -35.49 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -110.82 -10.56 14.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.09 22.65 69.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.868 HG11 HG13 ' A' ' 46' ' ' VAL . 11.7 t -90.16 121.56 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.555 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -106.84 140.29 39.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG12 HD23 ' A' ' 42' ' ' LEU . 2.6 t -153.64 126.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.859 ' CG ' HG23 ' A' ' 9' ' ' THR . 6.2 t0 -120.56 148.37 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.813 ' HE1' HG21 ' A' ' 45' ' ' THR . 2.3 m-85 -137.94 127.6 25.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -88.9 114.01 25.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -136.6 120.32 17.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.62 94.81 10.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -134.34 117.98 13.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -90.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.12 -27.34 60.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.045 HG22 HG21 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -52.44 -29.35 24.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' B' ' 243' ' ' VAL . 16.1 mt -52.73 -32.32 42.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.613 1.196 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.93 -31.65 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 34' ' ' VAL . 97.2 t -55.25 133.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.95 -41.72 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.8 -35.64 73.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.045 HG21 HG22 ' A' ' 28' ' ' THR . 19.8 t -82.11 -45.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.18 -48.11 79.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.765 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.43 -48.12 81.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -61.36 -34.06 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.636 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.9 t -71.06 -52.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.734 HG22 ' O ' ' B' ' 229' ' ' LEU . 17.2 mm -60.4 -42.05 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -72.58 -41.4 65.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t0 -57.77 -45.09 86.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.806 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -62.46 -51.76 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.653 HG11 HD21 ' B' ' 230' ' ' LEU . 1.5 t -61.35 -46.7 96.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.4 m120 -55.44 -37.08 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.813 HG21 ' HE1' ' A' ' 21' ' ' TYR . 3.5 m -73.75 -38.61 64.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.868 HG13 HG11 ' A' ' 17' ' ' VAL . 8.5 t -61.23 -46.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -72.61 -28.1 62.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -53.35 -36.01 60.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -71.28 -32.91 69.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -43.65 -49.73 7.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.676 HG21 ' CD1' ' A' ' 60' ' ' TRP . 0.2 OUTLIER -90.2 173.74 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' N ' ' OG1' ' A' ' 51' ' ' THR . 1.5 pt-20 -54.61 146.77 15.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -62.1 134.02 56.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -123.42 179.24 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -74.97 -82.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.619 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -98.46 149.88 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 p -74.89 121.29 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -175.42 115.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 108.326 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.61 -60.29 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.676 ' CD1' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 62.1 mtp . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.562 0.22 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 45.08 64.88 2.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -120.01 151.92 38.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 0.804 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 204' ' ' ALA . . . . . 0.417 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.17 107.37 18.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.495 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 43.7 p -148.88 164.53 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.592 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.7 m-85 -136.35 143.1 43.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.1 m -113.39 107.83 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 10' ' ' VAL . 74.3 t -104.92 116.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.466 HG23 ' HA ' ' B' ' 220' ' ' ASP . 1.6 m -108.18 148.86 29.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.408 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 t -140.24 114.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.45 HG23 ' CA ' ' B' ' 218' ' ' SER . 96.5 m -123.89 132.26 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.652 ' ND2' HG11 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -98.92 100.4 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.64 -15.71 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 18.3 p -70.06 -38.42 75.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 215' ' ' ASN . . . . . 0.522 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.5 t30 -113.94 -6.46 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 67.9 10.56 58.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.409 HG12 HG13 ' B' ' 246' ' ' VAL . 21.0 t -82.71 125.7 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.45 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.3 OUTLIER -110.87 139.69 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.662 ' CG2' HG22 ' B' ' 246' ' ' VAL . 54.5 t -137.32 131.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.466 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.96 144.65 46.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.798 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.6 m-85 -141.63 128.38 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -97.5 114.51 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.94 144.6 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 95.22 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.474 ' O ' HD12 ' B' ' 229' ' ' LEU . 15.8 p -134.29 110.83 11.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -85.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.9 mtm -75.6 -28.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.008 HG22 HG21 ' B' ' 234' ' ' VAL . 0.1 OUTLIER -51.89 -34.21 40.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.427 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.734 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.7 mt -51.92 -32.86 34.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.653 HD21 HG11 ' A' ' 43' ' ' VAL . 20.1 mt -81.91 -26.07 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.528 ' CG1' HG23 ' B' ' 234' ' ' VAL . 99.6 t -64.73 133.77 95.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.765 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.89 -42.79 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.433 1.754 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.51 -34.99 73.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.008 HG21 HG22 ' B' ' 228' ' ' THR . 38.8 t -83.12 -46.48 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.43 -44.04 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -57.18 -48.43 78.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 3.1 tt0 -65.33 -36.37 83.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.562 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.3 t -66.92 -48.11 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.672 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -65.63 -48.48 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.19 -42.86 96.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.4 t70 -58.8 -45.18 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 1.021 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -61.48 -47.59 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.651 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.8 t -65.79 -46.83 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 244' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -55.91 -36.76 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.798 HG21 ' HE1' ' B' ' 221' ' ' TYR . 1.9 m -74.84 -39.21 61.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 1.021 HG23 ' O ' ' B' ' 242' ' ' LEU . 72.1 t -61.68 -42.19 93.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 247' ' ' ARG . . . . . 0.521 ' O ' HG23 ' B' ' 251' ' ' THR . 43.5 mtt180 -72.25 -33.35 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 3.5 m -55.99 -37.35 68.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -32.72 72.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -72.14 -27.2 62.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.521 HG23 ' O ' ' B' ' 247' ' ' ARG . 73.3 p -93.96 165.46 12.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 110.398 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -55.35 -62.59 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.22 136.3 57.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.61 1.194 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.24 147.0 26.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 12.0 m170 61.08 154.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -116.49 152.29 34.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.8 p -76.05 129.56 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.8 170.85 9.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 108.338 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -55.84 154.52 13.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 6.2 m95 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.45 0.167 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 3' ' ' LYS . . . -89.31 80.42 1.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' B' ' 214' ' ' SER . 30.3 mmtt -102.05 170.36 8.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.23 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.06 93.6 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 67.0 p -135.52 162.29 33.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.62 ' CG ' HD11 ' A' ' 29' ' ' LEU . 1.2 m-85 -137.46 142.72 41.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 m -116.48 108.61 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 210' ' ' VAL . 61.9 t -102.99 120.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 6.8 m -116.52 131.96 56.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.033 HG22 HG22 ' B' ' 208' ' ' VAL . 2.6 t -126.72 121.74 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.216 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 54.4 m -125.63 140.28 52.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.4 111.51 23.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.11 -14.23 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -82.38 -35.0 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.43 -5.79 15.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.73 19.5 58.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.58 HG12 HG13 ' A' ' 46' ' ' VAL . 40.4 t -90.93 124.18 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.508 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -114.24 144.17 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.059 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.904 ' CG2' HG22 ' A' ' 46' ' ' VAL . 21.9 t -150.88 150.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -130.02 148.67 51.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CE1' HD23 ' A' ' 42' ' ' LEU . 2.6 m-85 -138.41 125.84 21.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.5 110.74 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 t -138.72 129.02 25.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.83 96.14 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.524 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 12.1 p -133.92 116.9 13.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -87.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.563 1.823 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.3 mtm -74.4 -28.87 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.963 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -50.99 -25.35 4.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.686 ' HB3' HG21 ' B' ' 243' ' ' VAL . 31.3 mt -64.62 -38.29 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.37 -22.58 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 34' ' ' VAL . 88.9 t -63.4 136.07 96.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.95 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.8 -35.25 74.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.963 HG21 HG22 ' A' ' 28' ' ' THR . 77.1 t -80.7 -45.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.22 -45.77 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.705 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.32 -48.87 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -63.73 -35.05 79.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.912 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.1 t -69.25 -53.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.711 HG22 ' O ' ' B' ' 229' ' ' LEU . 11.9 mm -57.31 -46.8 85.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.26 -42.63 79.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.3 t70 -58.31 -45.03 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.912 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -59.76 -52.54 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.418 HG21 HD13 ' B' ' 229' ' ' LEU . 1.9 t -63.54 -47.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.9 m120 -56.15 -39.29 72.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.415 ' HB ' ' OH ' ' A' ' 21' ' ' TYR . 23.2 m -75.42 -42.88 52.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.904 HG22 ' CG2' ' A' ' 19' ' ' VAL . 15.7 t -59.97 -39.65 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -73.66 -33.32 64.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' THR . 1.5 t -63.28 -31.45 72.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -67.17 -31.33 71.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -85.42 -54.97 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -122.17 170.97 9.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 110.385 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' OG1' ' A' ' 51' ' ' THR . 3.8 tt0 41.97 71.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -100.01 151.06 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.99 33.9 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -153.67 -75.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -115.57 155.6 27.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.45 131.43 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -54.61 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.26 -144.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.101 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 55.9 m95 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.556 0.217 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 73.29 52.77 8.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 152.96 39.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.63 107.51 18.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 31.5 p -148.86 159.65 43.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.059 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.479 ' CG ' HD11 ' B' ' 229' ' ' LEU . 5.9 m-85 -135.8 141.43 44.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.207 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.0 m -116.69 108.22 15.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 1.033 HG22 HG22 ' A' ' 10' ' ' VAL . 75.4 t -101.11 120.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.488 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -105.21 144.9 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.447 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.988 HG12 HG21 ' B' ' 246' ' ' VAL . 5.8 t -140.27 115.54 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.419 HG23 ' CA ' ' B' ' 218' ' ' SER . 55.4 m -127.55 134.56 49.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.618 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.83 99.68 11.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 213' ' ' ASN . . . . . 0.451 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.61 -13.33 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -80.97 -35.62 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.07 -0.63 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.03 16.75 34.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.684 HG12 HG13 ' B' ' 246' ' ' VAL . 55.9 t -90.77 124.92 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.419 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.27 149.06 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.941 ' HB ' HG22 ' B' ' 246' ' ' VAL . 67.9 t -153.63 135.0 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.488 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.74 145.66 49.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.423 ' CE2' HG21 ' B' ' 245' ' ' THR . 4.2 m-85 -141.23 128.26 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -102.75 114.52 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.9 t -138.98 151.42 46.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 110.444 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.86 94.99 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.592 ' O ' HD12 ' B' ' 229' ' ' LEU . 20.8 p -133.73 106.27 11.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -81.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 227' ' ' MET . . . . . 0.436 ' O ' HG23 ' B' ' 231' ' ' VAL . 2.3 mtm -73.84 -30.22 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 228' ' ' THR . . . . . 0.998 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.74 -40.09 62.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.711 ' O ' HG22 ' A' ' 39' ' ' ILE . 19.0 mt -52.45 -36.28 54.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.412 HD21 HG11 ' A' ' 43' ' ' VAL . 22.4 mt -80.94 -24.08 38.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.482 HG12 ' H ' ' B' ' 234' ' ' VAL . 96.4 t -68.54 136.08 90.64 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.705 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.96 -42.26 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.58 -35.07 75.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 0.998 HG21 HG22 ' B' ' 228' ' ' THR . 69.1 t -82.73 -46.65 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.585 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.94 -45.86 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.72 -48.55 74.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.9 OUTLIER -67.64 -35.27 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.901 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.1 t -66.15 -52.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.664 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 23.4 mm -59.93 -50.69 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.54 -43.29 97.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -57.4 -44.65 84.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.901 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -65.72 -54.29 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -57.16 -43.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.5 m120 -55.51 -38.24 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.423 HG21 ' CE2' ' B' ' 221' ' ' TYR . 19.2 m -71.99 -44.92 62.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.988 HG21 HG12 ' B' ' 210' ' ' VAL . 3.5 t -61.71 -39.11 82.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -73.44 -28.96 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 10.4 t -57.07 -38.12 72.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.053 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.11 -32.22 63.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 111.065 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -44.21 -37.17 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -100.27 172.55 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.609 1.193 . . . . 0.0 110.384 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 252' ' ' GLU . . . . . 0.451 ' N ' ' OG1' ' B' ' 251' ' ' THR . 2.9 mt-10 -67.35 -26.3 66.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.06 134.51 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -111.6 51.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -169.46 132.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.557 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -115.02 136.74 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.95 126.63 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.16 -62.59 0.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.167 . . . . 0.0 108.253 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 150.38 161.4 9.89 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 49.8 p-90 . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.449 0.166 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.59 80.35 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.594 1.184 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 214' ' ' SER . 4.4 mmtm -105.51 169.95 8.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.756 . . . . 0.0 109.342 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.0 93.75 4.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -136.18 166.84 22.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' B' ' 212' ' ' ASN . 2.9 m-85 -138.14 141.3 40.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -112.99 108.6 17.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.691 HG22 HG22 ' B' ' 210' ' ' VAL . 24.1 t -105.14 118.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 28.5 m -116.34 123.0 46.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.899 HG22 HG22 ' B' ' 208' ' ' VAL . 3.0 t -119.98 120.38 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.549 HG23 ' CA ' ' A' ' 18' ' ' SER . 89.9 m -127.88 143.48 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.603 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 6.2 m-20 -98.73 122.46 41.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.58 -15.57 54.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.403 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.2 OUTLIER -82.35 -35.9 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.38 -9.55 14.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.71 22.04 65.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.59 HG12 HG13 ' A' ' 46' ' ' VAL . 41.8 t -90.17 123.0 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 0.719 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.549 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -105.13 145.97 29.83 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.858 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.3 t -152.94 123.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.88 144.34 48.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.8 127.72 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.98 113.63 24.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 t -137.16 121.82 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.453 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.91 95.91 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 35.0 p -134.17 115.49 12.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -27.66 60.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.057 HG22 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -52.27 -21.47 3.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.612 ' O ' HG22 ' B' ' 239' ' ' ILE . 22.4 mt -62.83 -40.12 96.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.717 HD21 HG11 ' B' ' 243' ' ' VAL . 11.4 mt -74.57 -25.59 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' H ' ' A' ' 34' ' ' VAL . 98.2 t -61.52 134.26 93.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -75.05 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.78 -37.54 76.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.057 HG21 HG22 ' A' ' 28' ' ' THR . 17.0 t -81.13 -45.82 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.595 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.83 -48.31 81.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.719 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -57.8 -48.88 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.9 tm-20 -62.18 -35.33 78.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.14 -53.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.698 HG22 ' O ' ' B' ' 229' ' ' LEU . 20.2 mm -57.47 -50.63 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.4 t0 -61.6 -44.49 96.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -63.17 -50.28 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.582 ' CG2' HD13 ' B' ' 229' ' ' LEU . 2.0 t -63.17 -44.96 99.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.6 m120 -55.19 -39.38 69.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 m -74.77 -36.71 62.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 110.453 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 42' ' ' LEU . 92.6 t -61.99 -44.29 98.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -73.41 -30.26 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -54.29 -37.96 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -70.97 -25.65 62.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.58 -32.7 66.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.179 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 p -93.03 148.17 22.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.66 -29.3 69.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -115.08 134.09 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 55' ' ' HIS . 1.6 pt-20 -101.13 158.24 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER 86.17 -72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -83.29 152.57 25.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 57' ' ' VAL . 9.6 p -94.07 120.43 43.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 25.4 p 179.58 150.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.261 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.28 -97.69 2.09 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.411 1.069 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 33.1 m95 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 6.7 mtm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.486 0.184 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -124.42 57.62 0.67 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.483 1.114 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -120.67 155.15 34.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 204' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.61 107.83 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 12.6 p -147.54 162.84 38.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.478 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 4.5 m-85 -135.47 141.34 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.9 m -112.61 108.85 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 10' ' ' VAL . 34.2 t -108.57 113.57 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.477 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.1 m -102.58 147.77 26.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.691 HG22 HG22 ' A' ' 8' ' ' VAL . 2.3 t -140.07 114.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 59.8 m -129.78 130.76 45.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.412 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.589 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 0.2 OUTLIER -98.87 100.15 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.71 -17.11 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -68.3 -37.8 81.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.961 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 215' ' ' ASN . . . . . 0.497 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.7 t30 -112.88 -8.12 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 69.35 12.65 66.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.406 ' HB ' ' OD1' ' B' ' 212' ' ' ASN . 25.1 t -86.54 125.47 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.229 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.433 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -110.4 150.12 29.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' B' ' 246' ' ' VAL . 37.3 t -152.63 129.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.393 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.477 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.69 144.05 46.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.75 ' HE1' HG21 ' B' ' 245' ' ' THR . 2.0 m-85 -139.87 128.02 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -103.43 114.68 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.93 151.93 47.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 1.6 tm-20 -106.94 94.38 5.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.6 ' O ' HD12 ' B' ' 229' ' ' LEU . 46.3 p -135.28 106.11 10.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 226' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.6 Cg_endo -74.97 -82.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.551 1.816 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 227' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.46 -30.57 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.112 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.86 -37.68 53.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.698 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.6 mt -52.22 -36.33 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 43' ' ' VAL . 26.9 mt -79.94 -22.14 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.3 t -70.6 136.67 85.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.719 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.94 -42.68 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.1 -34.99 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.112 HG21 HG22 ' B' ' 228' ' ' THR . 59.0 t -82.66 -46.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.55 -45.77 85.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.68 -47.7 76.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.8 OUTLIER -66.41 -35.28 79.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.637 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.41 -52.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 29' ' ' LEU . 7.0 mm -60.19 -49.29 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.98 -41.01 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 0.8 OUTLIER -58.43 -45.45 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.637 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -62.58 -50.34 71.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 243' ' ' VAL . . . . . 0.717 HG11 HD21 ' A' ' 30' ' ' LEU . 1.5 t -62.35 -44.51 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.2 m120 -55.78 -37.72 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.75 HG21 ' HE1' ' B' ' 221' ' ' TYR . 23.9 m -73.08 -39.38 65.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.462 HG11 ' ND2' ' B' ' 212' ' ' ASN . 2.5 t -61.33 -44.57 98.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.394 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 247' ' ' ARG . . . . . 0.438 ' O ' HG22 ' B' ' 251' ' ' THR . 2.1 mtp180 -73.12 -28.07 62.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.25 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 5.0 p -54.66 -47.92 72.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.419 1.075 . . . . 0.0 109.948 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -61.04 -27.63 68.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -25.54 66.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 251' ' ' THR . . . . . 0.438 HG22 ' O ' ' B' ' 247' ' ' ARG . 0.0 OUTLIER -119.31 171.05 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 252' ' ' GLU . . . . . 0.431 ' N ' ' OG1' ' B' ' 251' ' ' THR . 2.1 mt-10 -103.86 59.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 253' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' B' ' 254' ' ' GLU . 7.0 t-20 -109.16 146.52 33.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 254' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 253' ' ' ASN . 10.1 pt-20 40.13 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 255' ' ' HIS . . . . . 0.41 ' N ' ' HG3' ' B' ' 254' ' ' GLU . 0.1 OUTLIER 169.8 48.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 0.0 109.625 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.24 154.14 20.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.75 158.01 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.586 1.179 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 24.6 p -104.69 163.92 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 61.92 -160.66 29.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 36.1 m95 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtm . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.579 0.228 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.5 83.66 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.409 1.068 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -109.05 169.62 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.75 93.59 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -143.23 160.35 40.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.41 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.58 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 4.6 m-85 -132.46 142.82 49.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -112.47 109.81 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.593 1.183 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.79 HG22 HG22 ' B' ' 210' ' ' VAL . 7.2 t -105.25 115.06 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 93.5 m -113.43 128.95 56.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 1.028 HG22 HG22 ' B' ' 208' ' ' VAL . 5.6 t -125.31 121.39 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.567 HG23 ' CA ' ' A' ' 18' ' ' SER . 80.0 m -127.58 144.92 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.601 ' ND2' HG11 ' A' ' 46' ' ' VAL . 1.6 m-20 -99.14 122.01 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.468 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.3 -15.37 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.32 -36.38 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -111.13 -7.16 14.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.74 23.49 61.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.587 1.179 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.667 ' CG1' HG13 ' A' ' 46' ' ' VAL . 11.6 t -90.34 120.22 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.567 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -102.49 145.52 29.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.08 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.491 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 3.2 t -152.84 124.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.05 144.57 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.11 128.36 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -97.98 113.51 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.3 t -137.04 129.79 30.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.21 95.92 10.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.6 p -133.77 112.47 12.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 -86.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.58 -28.14 61.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.011 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.2 -34.38 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.685 ' O ' HG22 ' B' ' 239' ' ' ILE . 24.2 mt -54.47 -36.25 63.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -80.34 -26.13 38.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 89.2 t -63.03 137.38 97.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.02 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.773 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.73 -44.77 90.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.011 HG21 HG22 ' A' ' 28' ' ' THR . 72.0 t -72.15 -44.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.5 -48.31 80.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.724 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.52 -48.81 79.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -61.73 -35.11 77.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.536 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -68.67 -52.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.755 HG22 ' O ' ' B' ' 229' ' ' LEU . 33.4 mm -59.85 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -62.14 -42.31 99.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.5 t0 -58.8 -44.52 90.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.803 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -59.93 -52.26 66.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.627 HG11 HD21 ' B' ' 230' ' ' LEU . 1.6 t -63.64 -44.15 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.4 m120 -56.08 -37.13 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 m -74.57 -39.83 62.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.667 HG13 ' CG1' ' A' ' 17' ' ' VAL . 4.6 t -60.72 -43.18 94.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 51' ' ' THR . 65.5 mtm180 -72.89 -31.42 64.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.66 -37.06 62.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.406 1.066 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.77 -28.74 61.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.92 -34.22 62.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.382 1.051 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 47' ' ' ARG . 57.2 p -89.7 140.61 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.83 -64.95 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.29 134.09 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -104.36 113.74 27.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.31 -64.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.588 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -118.42 143.07 46.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.3 m -64.02 121.59 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.072 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -172.39 116.28 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 108.246 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.545 ' C ' ' CG ' ' A' ' 60' ' ' TRP . . . 129.03 -116.53 2.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.545 ' CG ' ' C ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 7.2 mtp . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.453 0.168 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 56.44 58.09 16.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -122.1 155.35 35.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 0.78 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 204' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.76 107.83 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 205' ' ' THR . . . . . 0.493 HG22 ' HB2' ' B' ' 224' ' ' GLU . 11.5 p -147.84 166.9 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 206' ' ' TYR . . . . . 0.549 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 3.2 m-85 -137.07 143.32 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.7 m -111.79 107.73 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 208' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 10' ' ' VAL . 50.3 t -106.17 119.33 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 209' ' ' THR . . . . . 0.48 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.9 m -112.14 147.11 36.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 210' ' ' VAL . . . . . 0.79 HG22 HG22 ' A' ' 8' ' ' VAL . 2.6 t -140.35 114.13 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 211' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 57.1 m -122.38 134.6 54.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 212' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -97.08 101.15 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -14.03 29.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 214' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 1.2 p -82.06 -34.92 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 215' ' ' ASN . . . . . 0.403 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.2 t30 -111.02 0.24 16.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 216' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.14 17.18 16.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 217' ' ' VAL . . . . . 0.56 HG12 HG13 ' B' ' 246' ' ' VAL . 43.4 t -90.76 125.16 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 218' ' ' SER . . . . . 0.478 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -114.31 142.31 46.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 219' ' ' VAL . . . . . 0.853 ' CG2' HG22 ' B' ' 246' ' ' VAL . 4.2 t -149.84 137.04 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.326 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 220' ' ' ASP . . . . . 0.482 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -117.11 148.92 41.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 221' ' ' TYR . . . . . 0.755 ' CD1' HD23 ' B' ' 242' ' ' LEU . 3.9 m-85 -137.96 126.31 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.45 114.0 27.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -138.43 151.93 47.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 224' ' ' GLU . . . . . 0.493 ' HB2' HG22 ' B' ' 205' ' ' THR . 28.0 tt0 -104.98 93.29 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 225' ' ' THR . . . . . 0.5 ' O ' HD12 ' B' ' 229' ' ' LEU . 5.3 p -134.58 107.12 10.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 38.4 mmt -74.94 -29.18 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 228' ' ' THR . . . . . 1.003 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.07 -33.91 41.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.46 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 229' ' ' LEU . . . . . 0.755 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.1 mt -53.75 -32.94 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 230' ' ' LEU . . . . . 0.627 HD21 HG11 ' A' ' 43' ' ' VAL . 19.1 mt -83.93 -22.01 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 231' ' ' VAL . . . . . 0.597 HG12 ' H ' ' B' ' 234' ' ' VAL . 88.4 t -67.96 134.02 91.94 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.214 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 232' ' ' PRO . . . . . 0.724 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.02 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.5 -34.29 73.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 234' ' ' VAL . . . . . 1.003 HG21 HG22 ' B' ' 228' ' ' THR . 96.3 t -82.42 -46.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 235' ' ' ALA . . . . . 0.549 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -65.4 -43.96 88.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 236' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 32' ' ' PRO . . . -56.43 -48.48 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 237' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 5.5 tt0 -66.85 -35.61 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 238' ' ' VAL . . . . . 0.909 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.0 t -65.71 -55.32 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 239' ' ' ILE . . . . . 0.745 HD11 HD11 ' A' ' 39' ' ' ILE . 30.0 mm -56.93 -51.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 241' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.0 -44.36 87.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 242' ' ' LEU . . . . . 0.909 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -59.48 -49.78 76.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.8 t -67.93 -45.55 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 244' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.5 m120 -55.07 -38.5 68.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 245' ' ' THR . . . . . 0.427 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 3.7 m -74.55 -40.76 61.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 246' ' ' VAL . . . . . 0.853 HG22 ' CG2' ' B' ' 219' ' ' VAL . 64.8 t -60.97 -39.49 82.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.403 1.064 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -73.34 -34.89 65.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 47.2 m -58.51 -35.18 71.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -61.43 -25.11 67.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -28.06 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 73.0 p -87.5 160.69 18.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.162 . . . . 0.0 110.426 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -40.85 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.92 160.82 30.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.01 166.81 32.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -103.62 177.2 4.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -97.94 156.73 16.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 257' ' ' VAL . . . . . 0.413 HG13 ' O ' ' B' ' 257' ' ' VAL . 7.9 p -74.35 120.78 24.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.84 56.12 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 44.4 49.89 8.24 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 49.3 m0 . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.05 93.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.465 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 59.3 p -137.07 163.25 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.14 142.46 42.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 m -118.33 109.22 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.689 HG22 HG22 ' B' ' 210' ' ' VAL . 51.3 t -103.22 119.14 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.373 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 36.9 m -111.88 123.19 49.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.0 HG22 HG22 ' B' ' 208' ' ' VAL . 3.5 t -118.5 124.16 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.547 HG23 ' CA ' ' A' ' 18' ' ' SER . 79.9 m -131.76 143.9 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.587 ' OD1' ' CE1' ' B' ' 206' ' ' TYR . 1.2 m-20 -99.07 121.51 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -81.63 -15.85 53.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.454 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.36 -35.88 24.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -110.48 -9.84 14.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 64.22 23.17 67.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 11' ' ' THR . 10.4 t -90.67 121.93 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.725 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.547 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -104.79 146.36 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.949 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG12 HD23 ' A' ' 42' ' ' LEU . 2.7 t -152.67 124.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -120.69 140.82 51.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.3 m-85 -140.54 129.09 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -90.86 114.33 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.4 t -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.6 pt-20 -88.58 95.8 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.2 p -133.33 118.44 14.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.757 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -27.63 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.103 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -52.21 -20.27 2.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.552 ' O ' HG22 ' B' ' 239' ' ' ILE . 29.0 mt -64.63 -40.24 95.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 HG11 ' B' ' 243' ' ' VAL . 14.8 mt -73.96 -26.34 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' ' 34' ' ' VAL . 85.7 t -60.38 133.88 91.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -74.96 -43.85 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -57.89 -36.95 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.103 HG21 HG22 ' A' ' 28' ' ' THR . 24.5 t -81.19 -45.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.656 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.82 -44.37 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.75 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.96 -49.26 78.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.95 -34.67 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.531 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.62 -52.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.758 HG22 ' O ' ' B' ' 229' ' ' LEU . 16.5 mm -60.3 -43.61 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.9 -40.62 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.2 t70 -58.4 -44.4 88.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.718 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -64.31 -51.42 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.655 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.5 t -60.19 -47.12 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.74 -36.67 67.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.575 HG21 ' CE1' ' A' ' 21' ' ' TYR . 2.0 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . 0.454 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.72 107.9 18.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.05 166.52 27.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.587 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -136.94 145.26 44.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 3.2 m -116.25 107.99 15.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 1.0 HG22 HG22 ' A' ' 10' ' ' VAL . 48.0 t -109.87 115.94 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 2.1 m -104.99 150.27 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.689 HG22 HG22 ' A' ' 8' ' ' VAL . 2.2 t -139.64 114.6 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.496 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 3.1 m -125.05 132.06 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.4 OUTLIER -96.75 99.3 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -60.4 -12.64 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.01 -35.49 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -110.54 -2.62 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.53 13.35 37.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 79.0 t -89.28 144.99 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 109.23 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.496 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.0 t -127.27 154.73 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 218' ' ' SER . 45.5 t -155.24 124.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.84 143.97 43.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.3 m-85 -140.75 127.58 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -101.54 113.42 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -138.11 149.17 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.23 95.09 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.531 ' O ' HD12 ' B' ' 229' ' ' LEU . 19.8 p -133.58 108.58 12.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.352 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.02 -29.66 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.081 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.11 -36.39 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.437 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.758 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.6 mt -51.23 -32.35 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.528 HD21 HG11 ' A' ' 43' ' ' VAL . 27.3 mt -82.78 -25.99 32.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.562 HG12 ' H ' ' B' ' 234' ' ' VAL . 95.3 t -63.97 134.64 96.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.75 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.6 Cg_endo -74.88 -43.53 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.69 -35.42 74.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.081 HG21 HG22 ' B' ' 228' ' ' THR . 60.6 t -81.84 -45.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.572 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.375 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.544 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -58.06 -47.88 81.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -68.18 -35.18 77.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.893 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.5 t -68.61 -39.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.656 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 9.4 mm -75.24 -44.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -68.51 -40.97 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.2 t70 -60.09 -45.68 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.893 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -61.06 -49.14 78.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.6 t -64.65 -45.19 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.45 -36.5 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.455 HG21 ' CE2' ' B' ' 221' ' ' TYR . 88.7 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' B' ' 214' ' ' SER . 2.4 mmtt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.1 93.29 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.442 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 65.8 p -135.71 163.4 30.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.676 ' CD2' HD11 ' A' ' 29' ' ' LEU . 4.5 m-85 -136.73 140.68 42.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.21 109.88 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.586 HG22 HG22 ' B' ' 210' ' ' VAL . 64.4 t -102.21 129.41 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 13.4 m -124.43 124.16 41.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.062 HG22 HG22 ' B' ' 208' ' ' VAL . 2.6 t -119.05 125.35 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 17' ' ' VAL . 52.2 m -131.09 142.3 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.2 m-20 -101.25 100.39 10.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.453 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -61.62 -13.27 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.424 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.0 OUTLIER -81.71 -35.0 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -110.79 -1.67 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.32 14.68 34.85 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 11' ' ' THR . 56.2 t -90.02 139.46 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 19' ' ' VAL . 39.6 t -119.27 157.44 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 18' ' ' SER . 2.3 t -155.03 124.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.66 138.63 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.69 ' CE2' HG21 ' A' ' 45' ' ' THR . 0.7 OUTLIER -141.48 128.05 20.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.957 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -89.86 112.73 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -136.83 120.13 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.442 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -88.47 96.49 10.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.213 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 22.2 p -132.41 114.27 14.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -87.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -28.44 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.082 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.41 -33.1 28.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.82 ' HB3' HG21 ' B' ' 243' ' ' VAL . 19.0 mt -54.26 -36.48 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.703 HD21 HG11 ' B' ' 243' ' ' VAL . 14.9 mt -81.74 -23.54 36.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 97.4 t -65.97 135.25 95.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.557 1.819 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.2 -38.69 77.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.082 HG21 HG22 ' A' ' 28' ' ' THR . 72.8 t -81.67 -45.54 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.47 -48.28 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.732 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.38 -49.37 77.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 9.0 mm-40 -63.29 -34.51 77.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.929 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -69.02 -48.98 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.7 HG22 ' O ' ' B' ' 229' ' ' LEU . 10.7 mm -64.12 -47.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -65.88 -44.54 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.9 t70 -57.03 -44.45 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.929 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -64.22 -53.79 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.679 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.5 t -57.43 -48.45 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.48 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.69 HG21 ' CE2' ' A' ' 21' ' ' TYR . 22.7 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.15 108.12 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.453 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 34.7 p -147.9 163.05 37.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.617 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.3 m-85 -137.02 146.54 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.9 m -122.86 108.34 12.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 1.062 HG22 HG22 ' A' ' 10' ' ' VAL . 37.6 t -103.16 111.88 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.541 HG23 ' HB3' ' B' ' 220' ' ' ASP . 0.6 OUTLIER -97.42 144.21 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.667 ' HB ' HD22 ' B' ' 242' ' ' LEU . 2.3 t -139.64 114.08 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.438 HG23 ' CA ' ' B' ' 218' ' ' SER . 51.0 m -128.14 136.58 51.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.9 m-20 -97.02 118.1 32.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 -10.86 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.437 ' OG ' ' ND2' ' B' ' 215' ' ' ASN . 0.9 OUTLIER -79.58 -38.12 34.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.962 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . 0.437 ' ND2' ' OG ' ' B' ' 214' ' ' SER . 0.8 OUTLIER -112.45 -10.33 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.93 15.38 76.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 51.8 t -82.43 125.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.438 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.4 146.32 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.417 HG23 ' C ' ' B' ' 218' ' ' SER . 73.1 t -153.26 130.79 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.541 ' HB3' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -121.98 145.79 47.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.375 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.469 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.8 m-85 -141.28 128.48 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -101.28 115.13 29.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . 0.405 ' O ' ' N ' ' B' ' 206' ' ' TYR . 6.1 t -137.1 150.32 47.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.16 94.69 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.571 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.94 108.89 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -84.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.537 1.809 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -75.54 -28.86 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 0.992 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.57 -35.77 54.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.2 mt -52.0 -34.76 44.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 30.7 mt -79.67 -26.7 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.0 t -64.48 134.57 96.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.732 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -74.99 -42.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.16 -35.47 75.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 0.992 HG21 HG22 ' B' ' 228' ' ' THR . 96.9 t -81.88 -46.7 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.76 -44.06 94.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -56.64 -48.0 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.5 OUTLIER -65.74 -34.39 78.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.581 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.3 t -67.69 -48.71 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 29' ' ' LEU . 29.7 mm -65.36 -46.09 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -66.88 -41.03 87.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.6 t70 -59.99 -45.06 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.667 HD22 ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -63.13 -48.53 78.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.1 t -64.32 -43.49 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.425 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.33 -37.25 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.469 HG21 ' CE2' ' B' ' 221' ' ' TYR . 32.4 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 3.7 mptt . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.22 93.81 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 24' ' ' GLU . 69.9 p -142.77 155.61 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.619 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 3.9 m-85 -130.06 139.57 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.1 m -112.48 113.15 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 110.427 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.703 HG22 HG22 ' B' ' 210' ' ' VAL . 51.4 t -106.23 120.62 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' OD2' ' A' ' 20' ' ' ASP . 25.9 m -113.07 124.57 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.055 HG22 HG22 ' B' ' 208' ' ' VAL . 2.7 t -121.4 120.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.539 HG23 ' CA ' ' A' ' 18' ' ' SER . 59.6 m -129.19 145.33 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.511 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.602 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 1.5 m-20 -99.91 122.36 42.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.474 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -82.66 -14.99 53.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.401 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -83.28 -35.94 24.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -111.28 -10.43 14.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.31 23.14 69.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.1 t -89.97 120.12 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.539 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -104.83 143.27 33.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 18' ' ' SER . 2.4 t -153.94 124.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.554 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.2 m-85 -139.96 128.47 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -92.94 113.92 26.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -136.19 126.59 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.45 96.44 10.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.545 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.6 p -132.9 116.13 14.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -27.42 61.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.057 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.023 ' HB ' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -50.75 -25.47 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.813 ' HB3' HG21 ' B' ' 243' ' ' VAL . 13.2 mt -58.99 -41.27 87.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.449 HD21 HG11 ' B' ' 243' ' ' VAL . 5.4 mt -78.65 -25.35 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.624 HG12 ' H ' ' A' ' 34' ' ' VAL . 87.1 t -61.74 134.5 93.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.525 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.05 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.85 -36.18 76.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.023 HG11 ' HB ' ' A' ' 28' ' ' THR . 92.6 t -79.96 -44.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.625 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.94 -45.3 86.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.739 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.9 -48.9 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 12.5 tt0 -61.22 -34.5 75.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.762 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -70.18 -51.61 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.874 HD11 HD11 ' B' ' 239' ' ' ILE . 25.4 mm -61.28 -42.5 93.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -71.68 -40.84 69.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.8 t70 -59.34 -44.92 92.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.6 -51.18 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.677 HG11 HD21 ' B' ' 230' ' ' LEU . 1.5 t -60.61 -47.37 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.78 -36.6 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.608 HG21 ' CE1' ' A' ' 21' ' ' TYR . 4.8 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.01 108.05 19.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 15.9 p -147.38 166.29 27.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.602 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -137.22 143.65 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 7.9 m -112.74 108.25 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 1.055 HG22 HG22 ' A' ' 10' ' ' VAL . 34.1 t -108.73 113.9 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.501 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -104.42 147.2 27.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.703 HG22 HG22 ' A' ' 8' ' ' VAL . 2.1 t -140.36 114.34 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 54.8 m -127.44 135.53 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.619 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.6 m-20 -96.54 118.44 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . 0.413 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -76.89 -14.25 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -82.6 -35.25 27.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -109.91 -5.98 15.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 60.72 18.14 51.71 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 53.8 t -90.01 127.26 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.235 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.442 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -112.38 146.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 61.8 t -153.16 132.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.501 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -120.72 144.94 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.551 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.0 m-85 -140.36 128.33 22.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -99.68 115.11 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -137.34 151.4 48.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.425 ' HB2' HG22 ' B' ' 205' ' ' THR . 42.3 tt0 -109.04 94.85 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.524 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.97 108.59 11.68 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -83.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.8 mtm -75.69 -29.48 59.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.024 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.28 -35.63 50.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.445 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.9 mt -51.79 -32.9 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.677 HD21 HG11 ' A' ' 43' ' ' VAL . 22.1 mt -82.25 -24.77 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 96.3 t -66.36 134.37 94.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.739 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.97 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.37 -35.6 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.024 HG21 HG22 ' B' ' 228' ' ' THR . 54.3 t -82.05 -46.13 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.91 -43.63 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -57.02 -47.75 80.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.2 OUTLIER -66.87 -34.91 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.845 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.8 t -66.1 -49.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.874 HD11 HD11 ' A' ' 39' ' ' ILE . 23.4 mm -63.53 -50.82 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.25 -43.86 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.23 -45.04 88.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.845 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -63.3 -50.36 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.813 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.4 t -62.27 -45.79 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.58 -36.23 66.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.551 HG21 ' CE2' ' B' ' 221' ' ' TYR . 22.3 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 214' ' ' SER . 16.4 mmtt . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.429 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.36 93.85 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p -137.29 164.8 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.716 ' CG ' HD11 ' A' ' 29' ' ' LEU . 2.0 m-85 -137.96 142.35 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -114.71 109.5 18.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.533 HG22 HG22 ' B' ' 210' ' ' VAL . 29.2 t -105.29 119.62 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.7 m -116.61 124.02 48.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.182 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.967 HG22 HG22 ' B' ' 208' ' ' VAL . 4.1 t -117.43 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 17' ' ' VAL . 81.1 m -131.81 139.67 48.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.7 p30 -100.6 99.56 10.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -58.12 -15.49 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -34.61 58.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.74 -4.69 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.09 11.04 36.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 11' ' ' THR . 78.4 t -88.87 144.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' VAL . 41.1 t -120.16 159.76 24.23 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.494 HG12 HD23 ' A' ' 42' ' ' LEU . 4.2 t -153.69 124.35 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.09 139.57 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 5.3 m-85 -139.97 126.74 20.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -92.78 113.32 25.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.607 1.192 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.6 t -137.97 119.56 15.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.84 95.62 10.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' HD12 ' A' ' 29' ' ' LEU . 5.7 p -133.6 115.28 13.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.08 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -90.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -28.42 60.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.996 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -53.01 -30.71 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.856 ' HB3' HG21 ' B' ' 243' ' ' VAL . 13.2 mt -52.47 -29.43 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.221 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -82.37 -30.15 30.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.535 HG23 ' HA ' ' A' ' 28' ' ' THR . 99.2 t -56.26 134.67 75.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.565 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.98 -42.27 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.65 -36.77 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.996 HG21 HG22 ' A' ' 28' ' ' THR . 37.2 t -81.47 -45.82 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.18 -48.27 79.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -56.5 -48.81 76.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 13.7 tt0 -62.88 -35.2 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.846 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.63 -45.9 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.824 HD11 HD11 ' B' ' 239' ' ' ILE . 43.4 mm -67.93 -45.08 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.77 -45.04 76.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.6 t70 -59.37 -44.21 92.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -66.26 -51.39 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.3 t -58.8 -44.39 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -36.71 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.431 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.39 107.89 19.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.5 p -148.01 160.7 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.669 ' CG ' HD11 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -135.73 146.8 48.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 96.7 m -125.56 108.3 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 0.967 HG22 HG22 ' A' ' 10' ' ' VAL . 25.0 t -103.77 114.76 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -97.3 148.28 23.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.661 ' HB ' HD22 ' B' ' 242' ' ' LEU . 2.7 t -139.79 114.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.482 HG23 ' HB3' ' B' ' 218' ' ' SER . 53.1 m -129.66 125.8 36.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 30.8 p30 -96.44 98.31 10.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.01 -16.78 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.429 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.3 p -72.6 -36.26 68.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . 0.416 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.9 t30 -111.46 -3.74 15.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.09 14.62 47.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . 0.49 ' N ' ' OD1' ' B' ' 212' ' ' ASN . 67.9 t -90.13 132.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.482 ' HB3' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -116.23 148.21 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.47 HG12 HD23 ' B' ' 242' ' ' LEU . 18.9 t -152.73 125.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.51 145.57 40.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.475 ' HE1' HG21 ' B' ' 245' ' ' THR . 4.6 m-85 -139.94 127.57 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -102.81 114.64 29.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.7 t -137.61 149.23 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.09 94.38 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.528 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.39 110.9 12.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.5 mtm -74.72 -29.47 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.006 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.51 -35.65 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.903 ' HB3' HG21 ' A' ' 43' ' ' VAL . 15.8 mt -51.87 -32.98 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.466 HD21 HG11 ' A' ' 43' ' ' VAL . 18.6 mt -82.31 -23.24 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.538 HG12 ' H ' ' B' ' 234' ' ' VAL . 94.5 t -67.16 134.85 93.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.718 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.94 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.72 -34.83 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.006 HG21 HG22 ' B' ' 228' ' ' THR . 95.8 t -82.62 -46.06 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.542 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -65.1 -46.96 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -53.88 -46.6 71.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -68.47 -35.06 77.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.605 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.9 t -68.16 -39.64 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.824 HD11 HD11 ' A' ' 39' ' ' ILE . 41.9 mm -74.92 -45.01 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -68.2 -40.34 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t70 -60.83 -45.27 95.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.661 HD22 ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -64.62 -48.56 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.856 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -62.61 -44.84 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.07 -36.52 68.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.475 HG21 ' HE1' ' B' ' 221' ' ' TYR . 22.5 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.468 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.58 93.68 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 24' ' ' GLU . 77.7 p -140.47 157.79 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.346 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.714 ' CG ' HD11 ' A' ' 29' ' ' LEU . 3.2 m-85 -131.33 139.66 49.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.56 108.32 17.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.526 HG22 HG22 ' B' ' 210' ' ' VAL . 71.4 t -103.39 125.37 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.566 HG23 ' OD2' ' A' ' 20' ' ' ASP . 85.9 m -120.04 123.68 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.935 HG22 HG22 ' B' ' 208' ' ' VAL . 7.0 t -121.35 119.1 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 18' ' ' SER . 41.4 m -124.77 144.62 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.589 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 0.3 OUTLIER -100.55 112.3 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.476 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.74 -14.01 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.78 -36.37 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -111.31 -1.32 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 57.46 19.08 32.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 20.5 t -90.38 130.59 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.04 146.14 38.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.473 HG12 HD23 ' A' ' 42' ' ' LEU . 2.3 t -153.36 124.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.566 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -122.68 146.52 47.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.51 128.73 23.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.33 113.68 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 t -136.52 119.76 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -89.03 96.48 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.417 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 7.1 p -133.19 115.0 13.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 -91.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -27.59 59.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.038 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -53.13 -31.22 41.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.375 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.727 ' HB3' HG21 ' B' ' 243' ' ' VAL . 14.1 mt -51.24 -30.86 18.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.077 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.87 -28.73 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' HA ' ' A' ' 28' ' ' THR . 84.9 t -58.94 134.21 87.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.04 -34.87 70.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.038 HG21 HG22 ' A' ' 28' ' ' THR . 24.2 t -81.95 -45.45 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.65 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.39 -48.12 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.76 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -56.6 -48.57 77.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 18.8 mt-10 -62.27 -34.7 77.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.996 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.91 -46.27 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.734 HG22 ' O ' ' B' ' 229' ' ' LEU . 25.8 mm -67.55 -42.69 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.87 -40.97 71.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.5 t0 -57.92 -45.27 86.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.996 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -60.54 -51.89 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.597 HG11 HD21 ' B' ' 230' ' ' LEU . 1.7 t -62.2 -46.87 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -55.8 -36.54 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.73 108.08 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.476 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.0 p -148.52 161.87 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.695 ' CD2' HD11 ' B' ' 229' ' ' LEU . 5.4 m-85 -137.46 141.29 41.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.5 m -114.38 108.73 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 10' ' ' VAL . 38.5 t -105.43 112.53 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.448 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -99.38 148.79 23.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.473 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.682 ' HB ' HD22 ' B' ' 242' ' ' LEU . 3.1 t -140.79 115.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' B' ' 218' ' ' SER . 57.2 m -129.12 130.52 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.447 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 25.5 p30 -96.73 100.64 12.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.595 1.185 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.46 -14.77 13.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -75.35 -35.98 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . 0.431 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.5 t30 -111.49 -3.33 15.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.71 14.31 43.12 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . 0.489 ' N ' ' OD1' ' B' ' 212' ' ' ASN . 55.4 t -89.9 129.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.416 ' HA ' ' OG1' ' B' ' 211' ' ' THR . 0.2 OUTLIER -112.45 149.93 31.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.048 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 53.9 t -151.8 128.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.448 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -116.38 145.1 43.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.687 ' HE1' HG21 ' B' ' 245' ' ' THR . 3.1 m-85 -140.55 127.73 20.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -101.19 113.86 27.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.5 t -138.49 146.27 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.77 94.43 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.529 ' O ' HD12 ' B' ' 229' ' ' LEU . 18.1 p -133.58 108.71 12.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.2 mmt -74.8 -28.88 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.08 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.81 -34.82 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.734 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.2 mt -51.64 -32.94 31.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.597 HD21 HG11 ' A' ' 43' ' ' VAL . 23.5 mt -81.62 -26.12 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.545 HG12 ' H ' ' B' ' 234' ' ' VAL . 94.7 t -64.14 133.95 95.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.76 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 -42.73 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.29 -34.92 74.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.08 HG21 HG22 ' B' ' 228' ' ' THR . 73.7 t -82.19 -45.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.552 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -54.86 -48.79 72.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.1 tt0 -67.18 -35.11 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.52 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.7 t -67.46 -42.37 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.65 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mm -72.32 -47.84 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.31 -42.48 96.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t0 -60.43 -44.68 95.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.682 HD22 ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -63.17 -46.92 84.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.9 t -66.09 -45.7 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.03 -36.37 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.687 HG21 ' HE1' ' B' ' 221' ' ' TYR . 2.3 m . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.516 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 24' ' ' GLU . . . -106.87 93.93 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.8 p -140.22 158.27 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 5.6 m-85 -137.8 140.06 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.54 HG22 ' OD1' ' A' ' 20' ' ' ASP . 17.2 m -119.24 114.45 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.676 HG22 HG22 ' B' ' 210' ' ' VAL . 37.1 t -99.22 121.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.71 HG23 ' CG ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -107.48 126.39 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.959 HG22 HG22 ' B' ' 208' ' ' VAL . 4.1 t -125.64 120.12 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 17' ' ' VAL . 83.8 m -126.62 140.25 52.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' GLY . 18.7 p30 -100.39 99.2 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.644 1.215 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.65 -16.03 9.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -34.84 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.31 -5.12 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.238 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.32 12.87 47.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 11' ' ' THR . 71.5 t -90.63 144.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 19' ' ' VAL . 46.7 t -119.55 157.75 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 18' ' ' SER . 2.3 t -154.85 124.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.71 ' CG ' HG23 ' A' ' 9' ' ' THR . 1.8 t0 -115.79 145.19 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.632 ' HE1' HG21 ' A' ' 45' ' ' THR . 3.2 m-85 -139.84 127.31 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.24 111.87 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 t -137.33 131.48 32.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 4' ' ' ALA . 28.1 tt0 -89.29 94.95 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.5 p -134.57 113.23 11.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.45 1.763 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.74 -27.6 61.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.076 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.94 -24.96 7.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.651 ' O ' HG22 ' B' ' 239' ' ' ILE . 17.5 mt -60.16 -38.72 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.6 HD21 HG11 ' B' ' 243' ' ' VAL . 8.2 mt -79.84 -23.77 41.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 34' ' ' VAL . 78.3 t -63.52 136.63 96.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.07 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.91 -35.88 73.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.076 HG21 HG22 ' A' ' 28' ' ' THR . 23.4 t -82.06 -44.59 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.645 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.747 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.59 -49.68 76.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 10.3 mm-40 -62.03 -34.54 76.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.819 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -69.21 -48.02 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.689 HG22 ' O ' ' B' ' 229' ' ' LEU . 15.3 mm -65.99 -45.27 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.52 -44.42 78.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t70 -58.53 -44.34 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -66.3 -50.95 61.91 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.823 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.4 t -59.24 -45.66 92.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -37.31 67.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.632 HG21 ' HE1' ' A' ' 21' ' ' TYR . 65.7 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -101.92 107.59 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.454 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.4 p -147.4 160.37 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 12' ' ' ASN . 6.2 m-85 -137.73 141.89 41.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 98.8 m -118.32 109.15 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 0.959 HG22 HG22 ' A' ' 10' ' ' VAL . 50.7 t -100.46 122.26 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.42 HG23 ' HA ' ' B' ' 220' ' ' ASP . 1.9 m -109.54 148.3 31.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 110.381 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.676 HG22 HG22 ' A' ' 8' ' ' VAL . 2.3 t -139.65 114.81 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.5 HG23 ' O ' ' B' ' 217' ' ' VAL . 51.9 m -125.54 132.04 52.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -97.59 104.41 16.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . 0.42 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -63.09 -12.53 27.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -80.97 -35.18 32.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.078 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . 0.425 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.6 t30 -110.96 -0.72 16.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 58.2 15.08 21.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . 0.5 ' O ' HG23 ' B' ' 211' ' ' THR . 79.1 t -90.25 145.33 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.466 ' O ' HG23 ' B' ' 219' ' ' VAL . 44.0 t -126.39 155.54 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 218' ' ' SER . 38.9 t -154.17 124.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.42 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -113.53 143.39 44.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.3 m-85 -140.07 127.78 21.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.593 1.183 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.18 113.65 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.8 t -138.32 145.84 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.442 ' HB3' HG22 ' B' ' 205' ' ' THR . 0.0 OUTLIER -104.95 93.95 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.469 ' O ' HD12 ' B' ' 229' ' ' LEU . 2.2 p -135.03 110.29 10.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -83.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -29.59 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.057 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.66 -36.15 45.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.823 HD13 ' CG2' ' A' ' 43' ' ' VAL . 17.5 mt -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.63 -24.83 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 71.8 t -66.82 134.0 94.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.747 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.0 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.519 1.8 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.68 -34.29 72.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.057 HG21 HG22 ' B' ' 228' ' ' THR . 68.1 t -82.81 -46.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.43 -42.91 91.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.528 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.53 -47.73 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 40.8 mt-10 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.577 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.8 t -66.31 -51.96 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 29' ' ' LEU . 20.4 mm -60.4 -51.23 75.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -62.61 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.4 t0 -57.26 -45.38 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.577 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -62.18 -50.61 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.0 t -62.43 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.406 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.31 -36.72 69.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.443 HG21 ' CE2' ' B' ' 221' ' ' TYR . 31.6 m . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.54 4.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.1 p -143.65 161.08 39.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.468 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.784 ' CD2' HD11 ' A' ' 29' ' ' LEU . 7.0 m-85 -135.93 138.82 42.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.9 m -111.88 109.69 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.672 HG22 HG22 ' B' ' 210' ' ' VAL . 73.4 t -102.23 128.13 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' OD2' ' A' ' 20' ' ' ASP . 16.8 m -120.45 123.49 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.076 HG22 HG22 ' B' ' 208' ' ' VAL . 3.4 t -120.89 120.21 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.452 HG23 ' CA ' ' A' ' 18' ' ' SER . 54.5 m -128.1 144.11 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.553 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.9 OUTLIER -99.24 122.06 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.4 m-80 -82.16 -15.93 51.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.412 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -82.79 -35.57 26.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -110.78 -10.98 14.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.44 22.55 69.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 t -90.44 122.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.452 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.1 OUTLIER -108.8 141.41 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 18' ' ' SER . 2.2 t -152.54 124.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.554 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.92 145.77 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.804 ' CE1' HG21 ' A' ' 45' ' ' THR . 2.0 m-85 -140.1 128.15 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -89.2 113.19 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -137.56 122.88 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.39 96.8 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.539 ' O ' HD12 ' A' ' 29' ' ' LEU . 29.9 p -132.97 111.83 13.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -85.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mtm -73.19 -29.41 62.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.02 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.85 -35.44 44.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.784 HD11 ' CD2' ' A' ' 6' ' ' TYR . 15.4 mt -51.85 -32.88 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.183 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.26 -24.01 30.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 34' ' ' VAL . 88.3 t -66.36 135.86 94.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.98 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.31 -35.17 73.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.02 HG21 HG22 ' A' ' 28' ' ' THR . 78.3 t -82.56 -45.07 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.642 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.92 -47.64 82.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.766 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.22 -48.22 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.608 1.192 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -61.52 -34.87 76.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.862 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.73 -49.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.837 HD11 HD11 ' B' ' 239' ' ' ILE . 22.9 mm -63.44 -45.06 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -69.07 -40.5 78.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.6 t70 -57.87 -45.18 86.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.862 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -62.4 -53.77 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.827 HG11 HD21 ' B' ' 230' ' ' LEU . 1.4 t -58.78 -47.53 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.58 -36.25 66.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.804 HG21 ' CE1' ' A' ' 21' ' ' TYR . 2.8 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -101.85 107.58 18.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.4 p -147.75 162.23 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.509 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 3.9 m-85 -136.64 141.81 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.4 m -112.86 108.37 17.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.351 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 10' ' ' VAL . 46.8 t -105.95 115.86 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.502 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.4 m -104.62 146.46 28.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 8' ' ' VAL . 2.1 t -139.86 114.1 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' B' ' 218' ' ' SER . 7.9 m -123.5 135.08 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.2 m-20 -96.15 117.83 31.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . 0.494 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -77.53 -14.64 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 1.5 t -82.15 -35.83 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -110.34 -5.29 15.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.39 1.056 . . . . 0.0 109.24 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.66 20.06 50.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 53.0 t -90.76 130.16 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.253 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 219' ' ' VAL . 0.1 OUTLIER -110.73 147.18 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 218' ' ' SER . 38.5 t -153.16 128.83 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.502 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -119.38 145.33 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.22 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -140.96 127.51 20.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -101.68 114.51 28.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.6 t -138.21 151.11 47.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.466 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.429 ' HB3' HG22 ' B' ' 205' ' ' THR . 0.0 OUTLIER -106.6 94.34 5.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.585 ' O ' HD12 ' B' ' 229' ' ' LEU . 24.9 p -133.77 108.43 11.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.45 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -83.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -74.78 -28.66 60.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.021 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.14 -37.68 55.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.472 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 39' ' ' ILE . 18.9 mt -52.53 -36.66 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 43' ' ' VAL . 26.0 mt -78.83 -23.99 44.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.2 t -69.1 135.75 89.36 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.766 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.0 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.99 -34.67 73.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.021 HG21 HG22 ' B' ' 228' ' ' THR . 48.5 t -82.4 -46.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.554 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.56 -45.34 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.543 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -54.56 -47.74 72.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 47.0 mt-10 -66.95 -35.19 79.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.726 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.04 -50.11 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.837 HD11 HD11 ' A' ' 39' ' ' ILE . 20.9 mm -63.47 -51.24 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 1.8 tmtt? -61.57 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.0 t70 -58.82 -45.3 90.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.726 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -62.31 -51.84 66.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.751 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.6 t -61.49 -44.68 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.68 -36.57 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.85 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.471 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 73.1 p -142.04 157.84 44.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.774 ' CD2' HD11 ' A' ' 29' ' ' LEU . 6.3 m-85 -132.22 138.25 47.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -111.74 115.98 29.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.731 HG22 HG22 ' B' ' 210' ' ' VAL . 75.7 t -108.81 133.01 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 95.8 m -127.22 132.78 50.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.082 HG22 HG22 ' B' ' 208' ' ' VAL . 2.5 t -125.82 123.77 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 17' ' ' VAL . 73.0 m -126.23 140.3 52.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.616 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.88 99.51 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -58.67 -15.53 12.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -71.38 -35.96 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 3.3 t30 -112.3 -10.57 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 72.0 11.19 74.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 11' ' ' THR . 73.6 t -88.28 145.3 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 19' ' ' VAL . 42.0 t -120.79 160.04 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 18' ' ' SER . 2.5 t -153.96 124.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.33 140.28 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.852 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.9 m-85 -141.03 128.45 21.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -87.13 112.96 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 23' ' ' THR . 10.5 t -137.64 117.33 13.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.7 pt-20 -89.39 96.58 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.1 p -131.73 116.3 15.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 0.0 110.39 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -88.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mmm -74.08 -28.98 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.024 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.1 -28.61 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.328 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.774 HD11 ' CD2' ' A' ' 6' ' ' TYR . 20.5 mt -57.86 -35.55 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.645 HD21 HG11 ' B' ' 243' ' ' VAL . 12.2 mt -82.9 -23.41 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 34' ' ' VAL . 69.5 t -64.37 134.81 96.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.87 -43.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.75 -37.15 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.626 1.203 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.024 HG21 HG22 ' A' ' 28' ' ' THR . 84.4 t -81.19 -44.92 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.35 -46.52 88.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.728 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.61 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 5.4 mt-10 -62.41 -34.27 76.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.619 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -70.1 -52.18 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.699 HG22 ' O ' ' B' ' 229' ' ' LEU . 33.5 mm -59.93 -43.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.82 -43.02 69.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.7 t70 -57.7 -44.66 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -62.79 -51.0 68.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.546 HG11 HD21 ' B' ' 230' ' ' LEU . 1.3 t -62.01 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.18 -35.62 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.852 HG21 ' CE1' ' A' ' 21' ' ' TYR . 1.8 m . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.78 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -147.59 160.58 42.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.066 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.499 ' CD2' HD11 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -137.34 146.49 44.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.8 m -123.24 107.8 12.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 1.082 HG22 HG22 ' A' ' 10' ' ' VAL . 31.5 t -101.56 117.44 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.575 HG23 ' CB ' ' B' ' 220' ' ' ASP . 0.9 OUTLIER -102.75 144.55 30.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 8' ' ' VAL . 2.5 t -140.68 114.73 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.456 HG23 ' CA ' ' B' ' 218' ' ' SER . 52.7 m -128.32 138.13 52.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.614 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.5 m-20 -96.94 121.92 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -79.42 -15.9 57.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -83.02 -34.99 26.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -109.16 -8.45 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.23 16.2 53.1 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 53.1 t -86.95 125.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.468 ' O ' HG23 ' B' ' 219' ' ' VAL . 0.1 OUTLIER -111.25 145.43 38.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 218' ' ' SER . 4.6 t -152.88 126.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.575 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.48 146.24 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.412 ' CE2' HG21 ' B' ' 245' ' ' THR . 1.6 m-85 -140.98 128.28 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -100.14 115.61 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.4 t -137.71 148.71 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.34 94.84 5.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.518 ' O ' HD12 ' B' ' 229' ' ' LEU . 30.2 p -134.5 111.71 11.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -87.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.5 mmt -74.13 -28.5 61.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.074 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.18 -32.59 36.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.402 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 39' ' ' ILE . 18.7 mt -55.65 -35.92 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.546 HD21 HG11 ' A' ' 43' ' ' VAL . 23.4 mt -78.6 -25.1 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 89.0 t -65.07 134.33 95.97 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.728 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.06 -40.55 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.96 -36.07 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.074 HG21 HG22 ' B' ' 228' ' ' THR . 39.2 t -82.22 -45.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.87 -45.75 84.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.23 -48.16 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.4 OUTLIER -66.71 -35.16 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.887 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.0 OUTLIER -66.54 -50.99 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 29' ' ' LEU . 37.7 mm -61.79 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.38 -43.75 98.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.4 t70 -57.7 -45.23 85.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.887 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -61.96 -52.34 64.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.74 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.4 t -61.21 -44.4 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -38.74 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.412 HG21 ' CE2' ' B' ' 221' ' ' TYR . 53.9 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 4.4 mptt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.86 93.71 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 53.2 p -137.63 155.99 48.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' B' ' 212' ' ' ASN . 13.8 m-85 -135.15 139.16 44.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.395 1.059 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.767 HG22 ' OD1' ' A' ' 20' ' ' ASP . 54.3 m -115.96 117.02 28.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.5 128.64 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.474 HG23 ' CG ' ' A' ' 20' ' ' ASP . 2.0 m -119.57 123.76 44.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.95 HG22 HG22 ' B' ' 208' ' ' VAL . 4.2 t -121.69 118.64 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.764 HG23 ' O ' ' A' ' 17' ' ' VAL . 80.1 m -122.17 140.88 52.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 15.1 p30 -100.58 99.16 9.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.56 -15.33 6.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -76.4 -35.03 58.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.19 -3.93 15.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.9 12.09 34.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 11' ' ' THR . 75.7 t -89.57 143.99 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 48.0 t -120.05 157.91 27.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 18' ' ' SER . 37.1 t -154.38 128.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.767 ' OD1' HG22 ' A' ' 7' ' ' THR . 1.2 t0 -120.11 145.41 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.722 ' HE1' HG21 ' A' ' 45' ' ' THR . 3.5 m-85 -140.23 126.97 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -90.02 112.24 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -138.36 121.86 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -88.83 95.38 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.362 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.418 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 4.2 p -133.65 115.44 13.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.45 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -88.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -29.1 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.997 HG22 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -50.84 -22.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.416 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.711 ' O ' HG22 ' B' ' 239' ' ' ILE . 19.6 mt -61.49 -33.66 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 HG11 ' B' ' 243' ' ' VAL . 10.8 mt -82.68 -25.73 32.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.67 HG12 ' H ' ' A' ' 34' ' ' VAL . 73.5 t -59.6 133.34 88.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.0 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.94 -38.0 78.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.997 HG21 HG22 ' A' ' 28' ' ' THR . 84.3 t -79.84 -43.59 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.616 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.6 -44.9 92.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.758 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.99 -49.41 77.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -63.24 -34.82 78.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.878 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.3 t -68.8 -46.75 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.686 HG22 ' O ' ' B' ' 229' ' ' LEU . 29.2 mm -67.38 -46.03 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -66.55 -43.78 84.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 12.6 t70 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.878 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -66.13 -50.29 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.866 HG21 ' HB3' ' B' ' 229' ' ' LEU . 2.0 t -59.31 -45.36 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 1.2 m-80 -55.76 -37.45 68.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.722 HG21 ' HE1' ' A' ' 21' ' ' TYR . 12.7 m . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.82 108.32 19.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.542 HG22 ' HB2' ' B' ' 224' ' ' GLU . 16.5 p -147.08 164.31 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.571 ' CD2' HD11 ' B' ' 229' ' ' LEU . 1.7 m-85 -137.83 146.61 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 71.4 m -124.83 108.32 11.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 0.95 HG22 HG22 ' A' ' 10' ' ' VAL . 73.1 t -98.12 124.28 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 1.4 m -108.1 148.86 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.443 ' HB ' HD22 ' B' ' 242' ' ' LEU . 1.6 t -138.98 113.13 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.589 HG23 ' HB2' ' B' ' 218' ' ' SER . 21.2 m -123.14 130.17 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.0 OUTLIER -98.19 99.26 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . 0.457 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -59.22 -14.06 9.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -79.85 -34.44 39.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.022 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -110.51 -4.47 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.83 12.29 34.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . 0.454 ' HB ' ' ND2' ' B' ' 212' ' ' ASN . 71.9 t -90.03 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.589 ' HB2' HG23 ' B' ' 211' ' ' THR . 47.6 t -124.41 156.2 37.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.513 HG23 ' O ' ' B' ' 218' ' ' SER . 15.3 t -154.61 125.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.192 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.44 143.16 45.71 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.808 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.4 m-85 -139.93 128.55 23.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -102.83 114.68 29.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.0 t -138.25 142.14 39.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.542 ' HB2' HG22 ' B' ' 205' ' ' THR . 29.2 tt0 -97.63 95.1 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.508 ' O ' HD12 ' B' ' 229' ' ' LEU . 14.4 p -134.87 110.15 10.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.445 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.0 mtm -75.12 -28.23 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.062 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.48 -38.03 51.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.866 ' HB3' HG21 ' A' ' 43' ' ' VAL . 27.7 mt -52.48 -36.99 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 28.7 mt -79.36 -24.01 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 62.9 t -68.63 136.1 90.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.758 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.03 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.04 -34.99 74.14 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.062 HG21 HG22 ' B' ' 228' ' ' THR . 93.7 t -82.43 -46.57 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.562 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.508 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.23 -48.09 77.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -66.47 -35.53 80.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.711 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.33 -48.66 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 29' ' ' LEU . 25.8 mm -64.55 -50.57 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.8 t70 -58.18 -46.12 86.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.711 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -60.43 -49.92 75.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.1 t -63.8 -47.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.6 -36.92 67.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.808 HG21 ' HE1' ' B' ' 221' ' ' TYR . 1.6 m . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.36 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.52 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 1.4 mptt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' GLU . . . -106.09 93.79 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.7 p -145.13 161.51 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.435 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' B' ' 212' ' ' ASN . 1.4 m-85 -137.64 142.77 41.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -113.85 108.24 16.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.853 HG22 HG22 ' B' ' 210' ' ' VAL . 49.5 t -103.63 112.6 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.664 HG23 ' OD1' ' A' ' 20' ' ' ASP . 94.7 m -107.45 123.65 48.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.893 HG22 ' CG2' ' B' ' 208' ' ' VAL . 4.2 t -120.73 123.04 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.536 HG23 ' CA ' ' A' ' 18' ' ' SER . 71.7 m -130.43 145.04 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.3 m-20 -99.3 122.37 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -80.32 -17.11 53.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -83.86 -35.79 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -110.91 -3.14 15.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.97 23.26 30.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 11' ' ' THR . 5.4 t -89.91 120.66 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.536 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -106.0 141.64 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 18' ' ' SER . 2.0 t -152.82 124.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.664 ' OD1' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.71 146.46 43.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 1.061 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.79 ' HE1' HG21 ' A' ' 45' ' ' THR . 2.2 m-85 -140.29 128.04 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.58 112.75 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -138.57 127.24 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 24' ' ' GLU . 4.1 tp10 -89.06 96.78 10.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.8 p -133.95 112.34 12.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -86.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -27.5 61.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.007 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.41 -30.62 30.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.869 ' HB3' HG21 ' B' ' 243' ' ' VAL . 21.1 mt -57.65 -36.79 72.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD21 HG11 ' B' ' 243' ' ' VAL . 24.2 mt -78.11 -28.5 48.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 34' ' ' VAL . 90.1 t -59.81 134.28 89.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.95 -40.69 85.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.007 HG21 HG22 ' A' ' 28' ' ' THR . 92.4 t -76.76 -44.12 33.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.8 -45.67 92.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.53 -48.73 80.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.68 -34.64 76.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.791 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -69.87 -52.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.735 HG22 ' O ' ' B' ' 229' ' ' LEU . 14.3 mm -60.73 -43.17 94.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.98 -41.24 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 4.9 t70 -57.1 -45.29 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -62.53 -53.1 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.878 HG11 HD21 ' B' ' 230' ' ' LEU . 1.3 t -60.24 -44.14 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.49 -37.72 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.79 HG21 ' HE1' ' A' ' 21' ' ' TYR . 16.2 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.47 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.55 HG22 ' HB3' ' B' ' 224' ' ' GLU . 8.4 p -147.61 166.13 28.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.741 ' CG ' HD11 ' B' ' 229' ' ' LEU . 3.1 m-85 -137.18 142.16 42.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.0 m -113.23 107.28 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 0.893 ' CG2' HG22 ' A' ' 10' ' ' VAL . 53.4 t -111.25 114.47 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.462 HG23 ' O ' ' B' ' 219' ' ' VAL . 30.1 m -108.49 155.67 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.853 HG22 HG22 ' A' ' 8' ' ' VAL . 2.7 t -139.8 115.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 67.8 m -116.17 128.07 55.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.455 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' B' ' 215' ' ' ASN . 5.0 t30 -96.27 107.5 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.47 -13.74 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.563 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 1.6 t -67.25 -41.3 85.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.078 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . 0.764 HD22 HG23 ' B' ' 217' ' ' VAL . 11.5 t30 -118.76 -4.8 10.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 73.07 20.27 79.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . 0.764 HG23 HD22 ' B' ' 215' ' ' ASN . 2.1 t -82.32 146.04 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.583 ' O ' HG23 ' B' ' 219' ' ' VAL . 40.2 t -128.99 152.12 48.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 218' ' ' SER . 2.8 t -156.58 131.99 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.2 142.97 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -140.87 128.11 20.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.09 114.95 29.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 14.6 t -138.37 137.45 37.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.341 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.55 ' HB3' HG22 ' B' ' 205' ' ' THR . 2.7 pt-20 -89.25 94.07 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.563 ' O ' HD12 ' B' ' 229' ' ' LEU . 34.5 p -134.72 108.32 10.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.438 1.757 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.2 -28.72 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.063 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.25 -37.49 47.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.741 HD11 ' CG ' ' B' ' 206' ' ' TYR . 18.1 mt -52.11 -36.32 50.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.878 HD21 HG11 ' A' ' 43' ' ' VAL . 16.1 mt -81.03 -23.88 38.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 95.1 t -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.779 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.0 -43.34 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.58 -35.17 73.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.063 HG21 HG22 ' B' ' 228' ' ' THR . 75.4 t -82.31 -46.34 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.03 -43.49 92.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.518 ' CB ' ' HB3' ' A' ' 32' ' ' PRO . . . -55.93 -48.33 75.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 29.3 mt-10 -67.16 -35.81 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.944 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.9 t -66.36 -47.46 84.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.724 HG22 ' O ' ' A' ' 29' ' ' LEU . 16.3 mm -65.27 -51.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.41 -42.2 99.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -58.37 -44.69 88.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.944 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -64.9 -52.31 57.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.869 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.4 t -59.32 -43.41 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.47 -36.69 69.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 46.7 m . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.927 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.501 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.45 93.51 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 66.6 p -144.75 164.88 29.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 2.4 m-85 -137.2 142.25 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m -115.81 113.7 23.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.339 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 HG22 ' B' ' 210' ' ' VAL . 54.2 t -105.92 126.06 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.69 HG23 ' OD1' ' A' ' 20' ' ' ASP . 7.2 m -119.86 124.35 45.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.041 HG22 HG22 ' B' ' 208' ' ' VAL . 12.2 t -123.26 124.32 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 17' ' ' VAL . 90.2 m -129.08 141.53 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.3 p30 -100.21 99.07 9.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.458 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -57.37 -16.69 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -34.9 60.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -110.71 -5.03 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.78 13.07 37.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 11' ' ' THR . 76.1 t -90.31 140.84 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -116.67 151.64 35.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.931 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.589 HG12 HD23 ' A' ' 42' ' ' LEU . 2.8 t -152.32 124.15 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.69 ' OD1' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -122.66 144.96 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.771 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.4 m-85 -140.09 127.76 21.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.31 113.89 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 t -136.56 126.74 26.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.03 95.98 10.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.3 p -134.16 114.21 12.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -89.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -27.49 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.072 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.19 -20.88 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.659 ' O ' HG22 ' B' ' 239' ' ' ILE . 18.0 mt -63.05 -36.21 82.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mt -80.47 -23.78 39.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 ' H ' ' A' ' 34' ' ' VAL . 79.2 t -61.85 134.74 94.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.522 ' HA ' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.01 -43.05 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.19 -42.3 90.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.072 HG21 HG22 ' A' ' 28' ' ' THR . 73.3 t -74.35 -44.6 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.82 -47.59 82.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.735 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.5 -48.83 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 6.2 mt-10 -61.32 -34.11 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 HD12 ' A' ' 42' ' ' LEU . 1.1 t -70.35 -52.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.778 HG22 ' O ' ' B' ' 229' ' ' LEU . 28.4 mm -59.56 -43.25 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.198 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -71.19 -40.9 70.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.9 t70 -59.81 -45.33 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.773 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -62.08 -49.2 76.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.618 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.8 t -64.05 -46.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.13 -36.1 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.196 . . . . 0.0 109.306 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.771 HG21 ' CE1' ' A' ' 21' ' ' TYR . 98.5 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.34 108.19 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.2 p -147.8 160.02 43.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.659 ' CG ' HD11 ' B' ' 229' ' ' LEU . 1.0 OUTLIER -134.22 145.74 49.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 111.05 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.0 m -121.19 108.68 14.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 1.041 HG22 HG22 ' A' ' 10' ' ' VAL . 53.6 t -103.74 126.45 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.588 HG23 ' HA ' ' B' ' 220' ' ' ASP . 2.5 m -115.58 150.2 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.592 HG23 HD22 ' B' ' 242' ' ' LEU . 1.7 t -140.4 114.48 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.488 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 6.1 m -119.98 131.0 55.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.58 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -96.63 98.56 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . 0.499 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -59.64 -14.59 14.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -79.75 -34.93 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . 0.414 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.4 t30 -110.72 -1.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.18 14.19 24.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 215' ' ' ASN . 77.1 t -90.02 144.28 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.488 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 40.3 t -131.2 150.05 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' B' ' 221' ' ' TYR . 15.1 t -153.75 130.93 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.588 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -110.87 147.81 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.698 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 7.1 m-85 -137.49 125.24 22.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -100.45 113.58 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -139.52 145.13 38.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.07 95.22 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.532 ' O ' HD12 ' B' ' 229' ' ' LEU . 18.6 p -134.36 110.33 11.53 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -84.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.05 -29.18 60.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.076 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.23 -35.06 48.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.778 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.5 mt -52.33 -33.46 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.476 HD21 HG11 ' A' ' 43' ' ' VAL . 19.4 mt -83.46 -24.05 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.56 HG12 ' H ' ' B' ' 234' ' ' VAL . 90.0 t -65.26 132.78 95.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.735 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.06 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -59.58 -37.05 77.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.076 HG21 HG22 ' B' ' 228' ' ' THR . 45.6 t -81.69 -47.26 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.549 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -62.8 -45.2 93.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.28 -46.8 79.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.8 tt0 -67.53 -35.61 79.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.891 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.3 t -65.91 -54.44 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.739 HD11 HD11 ' A' ' 39' ' ' ILE . 19.9 mm -57.62 -51.05 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.04 -44.83 94.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.7 t70 -57.93 -44.08 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.891 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -58.46 -50.01 75.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.14 -47.01 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.488 HG21 ' CE2' ' B' ' 221' ' ' TYR . 2.2 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.524 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.69 93.69 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 24' ' ' GLU . 64.9 p -140.25 159.82 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.702 ' CD2' HD11 ' A' ' 29' ' ' LEU . 4.2 m-85 -137.15 142.05 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 m -113.14 109.73 19.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.817 HG22 HG22 ' B' ' 210' ' ' VAL . 47.0 t -107.38 115.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' CA ' ' A' ' 20' ' ' ASP . 85.6 m -114.91 138.15 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.042 HG22 HG22 ' B' ' 208' ' ' VAL . 18.6 t -127.96 131.11 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' VAL . 52.5 m -133.42 142.17 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.12 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.624 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.5 m-20 -100.73 109.39 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -68.45 -13.53 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.9 OUTLIER -82.76 -34.76 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.18 -2.95 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 59.61 13.94 26.32 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 11' ' ' THR . 61.6 t -88.17 140.76 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.417 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 41.5 t -120.34 157.52 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG12 HD23 ' A' ' 42' ' ' LEU . 1.2 t -155.35 125.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.418 ' CA ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -118.09 140.65 49.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CE2' HG21 ' A' ' 45' ' ' THR . 1.8 m-85 -140.92 128.09 20.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -96.31 112.4 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -137.79 124.26 20.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HB3' HG22 ' A' ' 5' ' ' THR . 5.2 pm0 -89.19 95.77 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.49 ' O ' HD12 ' A' ' 29' ' ' LEU . 1.5 p -132.96 113.81 13.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -86.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.839 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.95 -37.15 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.73 ' O ' HG22 ' B' ' 239' ' ' ILE . 17.7 mt -51.63 -32.31 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.42 -25.93 30.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 34' ' ' VAL . 89.6 t -63.24 136.16 96.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.01 -42.08 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.45 -36.42 75.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.839 HG21 HG22 ' A' ' 28' ' ' THR . 41.7 t -82.29 -44.95 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.33 -46.81 84.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.729 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.59 -49.65 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.1 mt-10 -62.78 -35.32 79.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.943 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -68.07 -51.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.583 ' HB ' ' HB1' ' B' ' 235' ' ' ALA . 1.3 mm -61.36 -48.22 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -65.09 -43.86 90.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.608 1.192 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.5 t0 -57.77 -44.5 86.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.943 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -63.81 -54.25 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.662 ' CG2' HD13 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -58.17 -46.4 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.45 -36.66 66.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.527 HG21 ' CE2' ' A' ' 21' ' ' TYR . 78.6 m . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.388 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.68 108.4 19.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.44 165.72 30.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.56 1.163 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.624 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.4 m-85 -136.9 146.69 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 93.5 m -124.23 109.27 13.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 1.042 HG22 HG22 ' A' ' 10' ' ' VAL . 55.8 t -103.32 126.62 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 4.2 m -113.39 148.64 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.817 HG22 HG22 ' A' ' 8' ' ' VAL . 2.0 t -140.41 114.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 55.1 m -119.49 131.75 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.379 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.9 m-20 -97.35 98.99 10.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . 0.48 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.89 -12.46 17.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -73.75 -39.43 64.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.61 -6.39 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.88 11.36 73.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.593 1.183 . . . . 0.0 111.076 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 42.4 t -81.33 142.84 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.463 ' C ' ' CG2' ' B' ' 219' ' ' VAL . 46.7 t -132.43 149.68 52.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.463 ' CG2' ' C ' ' B' ' 218' ' ' SER . 5.8 t -153.85 138.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.476 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -116.89 148.4 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.711 ' CE1' HD23 ' B' ' 242' ' ' LEU . 3.6 m-85 -137.39 125.58 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -101.77 112.39 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 4.8 t -138.15 151.81 48.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 2.0 tm-20 -109.23 93.16 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.515 ' O ' HD12 ' B' ' 229' ' ' LEU . 3.2 p -134.88 108.93 10.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . 0.481 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.1 Cg_endo -75.1 -83.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.75 -30.07 62.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 0.968 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.72 -33.32 34.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.662 HD13 ' CG2' ' A' ' 43' ' ' VAL . 17.1 mt -55.72 -41.43 73.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.31 -24.53 60.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.6 t -66.75 135.0 94.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.729 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.09 -42.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.528 1.804 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.29 -34.23 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 0.968 HG21 HG22 ' B' ' 228' ' ' THR . 97.7 t -82.15 -47.03 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.583 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.19 -44.11 89.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.78 -46.75 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 19.2 mt-10 -67.08 -35.72 80.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.881 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.8 t -66.38 -54.65 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.73 HG22 ' O ' ' A' ' 29' ' ' LEU . 17.4 mm -57.01 -51.3 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -63.24 -44.52 94.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.3 t70 -57.88 -44.29 86.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.881 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -58.93 -51.8 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 29' ' ' LEU . 1.6 t -65.84 -44.92 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.43 -37.36 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.417 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 2.1 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.62 93.61 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 24' ' ' GLU . 56.0 p -140.5 158.27 44.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.708 ' CD2' HD11 ' A' ' 29' ' ' LEU . 8.6 m-85 -136.57 139.47 42.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -114.06 113.83 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.768 HG22 HG22 ' B' ' 210' ' ' VAL . 55.7 t -104.18 120.82 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 24.8 m -112.78 130.64 56.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.011 HG22 HG22 ' B' ' 208' ' ' VAL . 2.7 t -125.72 119.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.537 HG23 ' CA ' ' A' ' 18' ' ' SER . 59.7 m -124.16 142.04 51.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.648 ' O ' ' N ' ' A' ' 16' ' ' GLY . 4.9 m-20 -99.66 99.01 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.459 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -61.17 -14.31 24.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.1 p -82.26 -36.27 27.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 t30 -111.15 2.13 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.79 17.46 9.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.382 1.051 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 15' ' ' ASN . 46.5 t -90.43 120.28 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.537 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -102.53 151.83 21.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.025 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 18' ' ' SER . 2.6 t -153.47 126.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -121.91 141.1 51.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.641 ' CE2' HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -141.3 128.85 21.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.57 113.66 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.4 t -136.64 121.36 18.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.592 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER -89.43 96.9 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.507 ' O ' HD12 ' A' ' 29' ' ' LEU . 12.6 p -132.42 113.68 14.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.54 -28.8 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.017 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.16 -32.21 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.761 ' O ' HG22 ' B' ' 239' ' ' ILE . 15.0 mt -53.24 -31.55 43.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.71 -29.23 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.628 HG12 ' H ' ' A' ' 34' ' ' VAL . 76.9 t -57.77 134.58 83.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.96 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.39 -37.82 78.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.017 HG21 HG22 ' A' ' 28' ' ' THR . 98.8 t -79.34 -44.05 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.622 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.73 -45.23 90.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.734 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -60.61 -49.87 75.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 27.7 mt-10 -62.94 -33.66 75.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.909 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.3 t -70.44 -47.75 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.635 HG22 ' O ' ' B' ' 229' ' ' LEU . 8.5 mm -66.18 -42.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -70.54 -44.46 67.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.8 t70 -57.07 -45.44 83.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.07 -53.42 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.5 t -57.7 -47.78 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -56.52 -35.19 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.641 HG21 ' CE2' ' A' ' 21' ' ' TYR . 5.6 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.389 1.056 . . . . 0.0 110.409 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.15 107.91 19.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 45.1 p -147.94 165.8 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.62 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -135.44 145.84 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.6 m -116.71 106.73 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 1.011 HG22 HG22 ' A' ' 10' ' ' VAL . 55.6 t -105.24 117.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.476 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.7 m -109.32 146.32 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.768 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 t -140.02 113.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 40.8 m -125.18 132.56 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.6 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -96.48 112.73 24.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . 0.419 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -71.44 -14.49 62.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -82.76 -35.97 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -110.45 0.64 17.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 53.64 19.48 9.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.419 1.075 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.83 120.19 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.489 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.45 138.63 47.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.654 HG12 ' CE1' ' B' ' 221' ' ' TYR . 17.2 t -149.31 137.57 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.528 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -117.91 149.15 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.763 ' CD1' HD23 ' B' ' 242' ' ' LEU . 3.2 m-85 -138.06 126.01 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.37 113.32 26.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.8 148.67 44.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.25 94.26 5.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 1.8 p -134.59 111.49 11.52 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 110.459 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -85.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 36.5 mmt -73.7 -28.67 61.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 0.852 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.02 -36.45 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 39' ' ' ILE . 26.6 mt -53.89 -37.67 63.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.28 -26.46 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 61.3 t -65.07 134.06 95.89 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.734 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.05 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.24 -34.95 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 0.852 HG21 HG22 ' B' ' 228' ' ' THR . 87.7 t -81.7 -45.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.594 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -66.18 -42.53 88.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -57.6 -48.28 79.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 2.5 tt0 -66.51 -35.43 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.94 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.5 t -66.11 -55.18 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 29' ' ' LEU . 17.3 mm -57.1 -51.04 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.98 -43.9 97.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.7 t70 -57.35 -44.56 84.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.94 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -59.15 -52.79 64.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.57 HG21 HD13 ' A' ' 29' ' ' LEU . 2.1 t -64.22 -45.2 96.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.95 -38.73 70.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.47 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 1.3 m . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.508 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.19 93.85 4.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.3 p -138.92 155.42 48.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 7.1 m-85 -133.38 136.78 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.588 HG22 ' OD1' ' A' ' 20' ' ' ASP . 15.6 m -113.75 115.32 27.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 HG22 ' B' ' 210' ' ' VAL . 54.9 t -100.6 124.38 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.519 HG23 ' CB ' ' A' ' 20' ' ' ASP . 2.0 m -114.37 133.19 55.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.945 HG22 HG22 ' B' ' 208' ' ' VAL . 3.6 t -129.79 122.71 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 17' ' ' VAL . 87.7 m -127.67 142.45 51.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.9 101.45 12.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -60.38 -13.37 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.237 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.7 OUTLIER -81.48 -35.8 30.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.71 -1.38 16.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 58.36 15.35 23.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 11' ' ' THR . 53.5 t -90.32 137.66 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 19' ' ' VAL . 47.4 t -119.06 155.7 31.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 18' ' ' SER . 2.6 t -155.9 132.95 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.588 ' OD1' HG22 ' A' ' 7' ' ' THR . 3.4 t0 -124.94 144.76 50.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.48 ' CE1' HG21 ' A' ' 45' ' ' THR . 0.8 OUTLIER -139.92 127.96 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -94.45 113.43 25.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -136.55 126.95 26.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -88.52 95.18 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 13.9 p -134.92 116.4 12.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -90.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -27.2 60.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.028 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -52.77 -18.64 1.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' O ' HG22 ' B' ' 239' ' ' ILE . 24.1 mt -65.07 -41.59 94.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.9 -26.89 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 34' ' ' VAL . 89.9 t -57.77 134.94 83.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.97 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.377 1.725 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.63 -35.59 72.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.028 HG21 HG22 ' A' ' 28' ' ' THR . 8.4 t -81.91 -45.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.65 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.44 -46.73 84.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.738 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.66 -48.83 79.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.2 tt0 -64.74 -34.88 79.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.856 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.8 -47.69 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.745 HG22 ' O ' ' B' ' 229' ' ' LEU . 34.2 mm -65.07 -46.27 91.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.28 -44.64 78.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t70 -57.87 -45.0 86.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.67 -52.67 59.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.647 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.5 t -57.71 -48.99 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -56.12 -34.36 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.48 HG21 ' CE1' ' A' ' 21' ' ' TYR . 1.5 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.24 107.35 18.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.576 HG22 ' HB2' ' B' ' 224' ' ' GLU . 21.7 p -145.95 164.16 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.811 ' CG ' HD11 ' B' ' 229' ' ' LEU . 2.5 m-85 -137.78 143.55 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 21.5 m -122.05 108.22 13.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 0.945 HG22 HG22 ' A' ' 10' ' ' VAL . 78.6 t -99.19 122.7 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.517 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.6 m -107.37 146.37 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.531 HG22 HG22 ' A' ' 8' ' ' VAL . 3.5 t -139.88 113.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 52.7 m -126.48 134.44 50.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.629 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -97.13 115.17 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -13.51 61.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.441 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -83.05 -36.05 25.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.982 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -110.33 -1.51 17.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.46 16.83 16.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' B' ' 211' ' ' THR . 43.0 t -88.09 125.79 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.423 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.65 148.07 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.404 HG23 ' C ' ' B' ' 218' ' ' SER . 69.2 t -153.11 134.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.517 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.7 145.94 49.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.562 ' CE2' HG21 ' B' ' 245' ' ' THR . 1.7 m-85 -140.61 128.16 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -103.88 115.46 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 7.5 t -138.52 145.21 40.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.576 ' HB2' HG22 ' B' ' 205' ' ' THR . 1.8 tm-20 -94.58 93.65 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 110.303 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.602 ' O ' HD12 ' B' ' 229' ' ' LEU . 12.1 p -134.5 104.98 10.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -80.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.43 1.753 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -29.36 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.015 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.15 -38.97 55.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.811 HD11 ' CG ' ' B' ' 206' ' ' TYR . 16.8 mt -51.71 -34.21 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.381 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.584 HD21 HG11 ' A' ' 43' ' ' VAL . 17.4 mt -82.92 -22.72 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 99.6 t -69.43 136.03 88.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.738 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.93 -42.6 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.6 -34.76 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.015 HG21 HG22 ' B' ' 228' ' ' THR . 80.6 t -82.03 -46.65 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.536 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.03 -45.61 84.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.53 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.22 -48.34 74.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.546 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -67.98 -34.98 77.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.89 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.1 t -66.24 -52.83 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.65 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 4.0 mm -60.02 -51.1 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.214 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.2 OUTLIER -62.26 -44.99 95.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 13.8 t0 -57.23 -45.53 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.89 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -63.35 -52.52 61.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.5 t -60.24 -44.53 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 1.0 OUTLIER -56.52 -36.87 69.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.562 HG21 ' CE2' ' B' ' 221' ' ' TYR . 63.2 m . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' B' ' 214' ' ' SER . 14.4 mmtt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.434 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.12 93.37 4.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.684 HG22 ' CG ' ' A' ' 24' ' ' GLU . 70.6 p -136.16 165.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.599 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.1 144.28 43.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -119.45 108.67 14.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 110.407 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.471 HG12 HD21 ' A' ' 42' ' ' LEU . 74.5 t -100.68 128.73 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' VAL . 17.0 m -124.1 129.16 50.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.026 HG22 HG22 ' B' ' 208' ' ' VAL . 2.9 t -124.27 126.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 99.9 m -129.9 137.45 50.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.591 ' O ' ' N ' ' A' ' 16' ' ' GLY . 5.0 p30 -100.37 98.96 9.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -56.81 -16.1 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -76.7 -34.98 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -111.29 -4.33 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.44 14.56 35.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.496 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 41.2 t -90.58 127.68 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.509 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 1.0 OUTLIER -114.63 147.98 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.066 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.628 HG12 ' CE1' ' A' ' 21' ' ' TYR . 34.4 t -147.49 154.85 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.507 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -134.76 147.55 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.742 ' CE1' HD23 ' A' ' 42' ' ' LEU . 2.9 m-85 -138.63 126.37 22.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -105.4 111.97 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.262 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -138.27 139.87 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.684 ' CG ' HG22 ' A' ' 5' ' ' THR . 28.5 mt-10 -90.74 94.12 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 p -133.6 110.74 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -86.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -27.77 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.973 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.38 -24.26 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.727 ' HB3' HG21 ' B' ' 243' ' ' VAL . 27.2 mt -61.95 -37.3 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mt -81.45 -23.44 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.663 HG12 ' H ' ' A' ' 34' ' ' VAL . 74.6 t -62.12 133.66 94.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.06 -44.12 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.973 HG21 HG22 ' A' ' 28' ' ' THR . 78.4 t -80.15 -44.51 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.709 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.84 -41.86 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -61.81 -49.44 76.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.4 mt-10 -64.31 -34.44 78.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.884 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.4 t -69.87 -53.51 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.657 HG22 ' O ' ' B' ' 229' ' ' LEU . 14.9 mm -57.34 -47.63 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -66.83 -44.94 79.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.9 t70 -57.53 -44.91 85.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -59.35 -51.35 70.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.577 HG21 HD13 ' B' ' 229' ' ' LEU . 2.1 t -64.76 -48.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.1 m-80 -57.31 -36.73 71.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.55 HG21 ' CE2' ' A' ' 21' ' ' TYR . 3.5 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.35 107.59 18.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 16.9 p -147.9 161.43 41.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.549 ' CG ' HD11 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -136.32 148.38 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.0 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.7 m -127.5 109.13 11.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 10' ' ' VAL . 54.1 t -102.82 126.29 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.422 HG23 ' CB ' ' B' ' 220' ' ' ASP . 2.0 m -112.56 147.59 36.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.443 HG22 HG22 ' A' ' 8' ' ' VAL . 5.7 t -139.81 115.17 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.5 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 5.6 m -124.97 131.09 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.55 98.9 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . 0.444 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 1.0 OUTLIER -58.91 -15.42 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.434 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -78.73 -34.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -109.72 -3.45 16.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.5 12.98 35.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . 0.402 ' O ' HG23 ' B' ' 211' ' ' THR . 70.9 t -89.73 144.52 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.5 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.3 t -127.68 154.84 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 218' ' ' SER . 51.3 t -155.23 127.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.422 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.39 143.56 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.702 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.7 m-85 -140.2 127.93 21.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -101.68 114.34 28.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 110.222 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 206' ' ' TYR . 13.8 t -138.32 149.66 45.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.072 . . . . 0.0 110.366 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.46 94.7 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.63 ' O ' HD12 ' B' ' 229' ' ' LEU . 12.0 p -133.52 106.59 11.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.96 -82.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.548 1.815 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -74.23 -29.97 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.022 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -53.77 -39.1 65.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.9 mt -51.57 -34.88 38.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.38 -25.91 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 88.3 t -65.1 135.96 96.49 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.73 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.47 -35.06 74.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.022 HG21 HG22 ' B' ' 228' ' ' THR . 70.6 t -82.1 -46.55 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.586 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.2 -43.74 94.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.89 -48.2 78.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.2 mm-40 -70.55 -34.98 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.943 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.7 t -68.87 -36.99 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.709 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 2.9 mm -77.52 -45.65 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -67.26 -43.88 80.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 30.4 t0 -57.69 -44.98 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.943 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.2 OUTLIER -63.38 -48.65 76.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -62.85 -47.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.5 OUTLIER -56.31 -32.72 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.702 HG21 ' HE1' ' B' ' 221' ' ' TYR . 50.0 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 214' ' ' SER . 3.8 mptp? . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.4 93.4 4.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 p -140.3 165.87 26.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' HD11 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -138.07 143.57 40.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 m -121.9 107.55 12.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.731 HG22 HG22 ' B' ' 210' ' ' VAL . 40.9 t -95.17 113.28 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.859 HG23 ' CG ' ' A' ' 20' ' ' ASP . 1.3 m -101.12 122.68 44.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.843 HG22 HG22 ' B' ' 208' ' ' VAL . 16.8 t -123.06 119.9 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.555 HG23 ' CA ' ' A' ' 18' ' ' SER . 79.0 m -129.17 144.43 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.426 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.592 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 1.4 m-20 -98.84 120.28 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -80.82 -15.72 55.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.54 -35.49 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -110.82 -10.56 14.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.09 22.65 69.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 11' ' ' THR . 11.7 t -90.16 121.56 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.555 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -106.84 140.29 39.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG12 HD23 ' A' ' 42' ' ' LEU . 2.6 t -153.64 126.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.859 ' CG ' HG23 ' A' ' 9' ' ' THR . 6.2 t0 -120.56 148.37 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.813 ' HE1' HG21 ' A' ' 45' ' ' THR . 2.3 m-85 -137.94 127.6 25.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -88.9 114.01 25.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -136.6 120.32 17.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.62 94.81 10.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -134.34 117.98 13.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -90.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.12 -27.34 60.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.045 HG22 HG21 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -52.44 -29.35 24.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' B' ' 243' ' ' VAL . 16.1 mt -52.73 -32.32 42.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.613 1.196 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.93 -31.65 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 34' ' ' VAL . 97.2 t -55.25 133.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.95 -41.72 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.8 -35.64 73.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.045 HG21 HG22 ' A' ' 28' ' ' THR . 19.8 t -82.11 -45.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.18 -48.11 79.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.765 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.43 -48.12 81.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -61.36 -34.06 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.636 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.9 t -71.06 -52.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.734 HG22 ' O ' ' B' ' 229' ' ' LEU . 17.2 mm -60.4 -42.05 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -72.58 -41.4 65.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t0 -57.77 -45.09 86.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.806 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -62.46 -51.76 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.653 HG11 HD21 ' B' ' 230' ' ' LEU . 1.5 t -61.35 -46.7 96.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.44 -37.08 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.813 HG21 ' HE1' ' A' ' 21' ' ' TYR . 3.5 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . 0.417 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.17 107.37 18.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.495 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 43.7 p -148.88 164.53 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.592 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.7 m-85 -136.35 143.1 43.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.1 m -113.39 107.83 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 10' ' ' VAL . 74.3 t -104.92 116.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.466 HG23 ' HA ' ' B' ' 220' ' ' ASP . 1.6 m -108.18 148.86 29.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.408 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 t -140.24 114.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.45 HG23 ' CA ' ' B' ' 218' ' ' SER . 96.5 m -123.89 132.26 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.567 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 0.3 OUTLIER -98.92 100.4 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.64 -15.71 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 18.3 p -70.06 -38.42 75.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . 0.522 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.5 t30 -113.94 -6.46 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 67.9 10.56 58.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . 0.403 ' O ' ' ND2' ' B' ' 212' ' ' ASN . 21.0 t -82.71 125.7 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.45 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.3 OUTLIER -110.87 139.69 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 54.5 t -137.32 131.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.466 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.96 144.65 46.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.798 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.6 m-85 -141.63 128.38 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -97.5 114.51 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.94 144.6 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 95.22 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.474 ' O ' HD12 ' B' ' 229' ' ' LEU . 15.8 p -134.29 110.83 11.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -85.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.9 mtm -75.6 -28.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.008 HG22 HG21 ' B' ' 234' ' ' VAL . 0.1 OUTLIER -51.89 -34.21 40.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.427 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.734 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.7 mt -51.92 -32.86 34.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.653 HD21 HG11 ' A' ' 43' ' ' VAL . 20.1 mt -81.91 -26.07 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.528 ' CG1' HG23 ' B' ' 234' ' ' VAL . 99.6 t -64.73 133.77 95.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.765 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.89 -42.79 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.433 1.754 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.51 -34.99 73.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.008 HG21 HG22 ' B' ' 228' ' ' THR . 38.8 t -83.12 -46.48 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.43 -44.04 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -57.18 -48.43 78.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 3.1 tt0 -65.33 -36.37 83.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.562 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.3 t -66.92 -48.11 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.672 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -65.63 -48.48 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.19 -42.86 96.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.4 t70 -58.8 -45.18 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.562 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -61.48 -47.59 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.651 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.8 t -65.79 -46.83 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.411 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.91 -36.76 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.798 HG21 ' HE1' ' B' ' 221' ' ' TYR . 1.9 m . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' B' ' 214' ' ' SER . 30.3 mmtt . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.06 93.6 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 67.0 p -135.52 162.29 33.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.62 ' CG ' HD11 ' A' ' 29' ' ' LEU . 1.2 m-85 -137.46 142.72 41.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 m -116.48 108.61 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 210' ' ' VAL . 61.9 t -102.99 120.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 6.8 m -116.52 131.96 56.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.033 HG22 HG22 ' B' ' 208' ' ' VAL . 2.6 t -126.72 121.74 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.216 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 54.4 m -125.63 140.28 52.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.4 111.51 23.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.11 -14.23 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -82.38 -35.0 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -110.43 -5.79 15.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.73 19.5 58.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.4 t -90.93 124.18 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.256 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.508 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -114.24 144.17 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.059 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.584 HG12 ' CE1' ' A' ' 21' ' ' TYR . 21.9 t -150.88 150.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.53 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -130.02 148.67 51.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CE1' HD23 ' A' ' 42' ' ' LEU . 2.6 m-85 -138.41 125.84 21.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.5 110.74 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 t -138.72 129.02 25.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.83 96.14 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.524 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 12.1 p -133.92 116.9 13.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -87.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.563 1.823 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.3 mtm -74.4 -28.87 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.963 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -50.99 -25.35 4.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.686 ' HB3' HG21 ' B' ' 243' ' ' VAL . 31.3 mt -64.62 -38.29 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.37 -22.58 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 34' ' ' VAL . 88.9 t -63.4 136.07 96.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.95 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.8 -35.25 74.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.963 HG21 HG22 ' A' ' 28' ' ' THR . 77.1 t -80.7 -45.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.22 -45.77 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.705 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.32 -48.87 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -63.73 -35.05 79.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.912 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.1 t -69.25 -53.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.711 HG22 ' O ' ' B' ' 229' ' ' LEU . 11.9 mm -57.31 -46.8 85.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.26 -42.63 79.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.3 t70 -58.31 -45.03 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.912 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -59.76 -52.54 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.418 HG21 HD13 ' B' ' 229' ' ' LEU . 1.9 t -63.54 -47.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.437 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 1.3 m-80 -56.15 -39.29 72.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.415 ' HB ' ' OH ' ' A' ' 21' ' ' TYR . 23.2 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.63 107.51 18.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 31.5 p -148.86 159.65 43.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.059 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.479 ' CG ' HD11 ' B' ' 229' ' ' LEU . 5.9 m-85 -135.8 141.43 44.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.207 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.0 m -116.69 108.22 15.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 1.033 HG22 HG22 ' A' ' 10' ' ' VAL . 75.4 t -101.11 120.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.488 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -105.21 144.9 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.447 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.55 HG22 HG22 ' A' ' 8' ' ' VAL . 5.8 t -140.27 115.54 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.419 HG23 ' CA ' ' B' ' 218' ' ' SER . 55.4 m -127.55 134.56 49.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.618 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.83 99.68 11.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . 0.451 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.61 -13.33 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -80.97 -35.62 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -111.07 -0.63 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.03 16.75 34.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . . . . . . . . . 55.9 t -90.77 124.92 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.419 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.27 149.06 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.402 HG23 ' C ' ' B' ' 218' ' ' SER . 67.9 t -153.63 135.0 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.488 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.74 145.66 49.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.423 ' CE2' HG21 ' B' ' 245' ' ' THR . 4.2 m-85 -141.23 128.26 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -102.75 114.52 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.9 t -138.98 151.42 46.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 110.444 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.86 94.99 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.592 ' O ' HD12 ' B' ' 229' ' ' LEU . 20.8 p -133.73 106.27 11.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -81.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . 0.436 ' O ' HG23 ' B' ' 231' ' ' VAL . 2.3 mtm -73.84 -30.22 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 0.998 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.74 -40.09 62.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.711 ' O ' HG22 ' A' ' 39' ' ' ILE . 19.0 mt -52.45 -36.28 54.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.412 HD21 HG11 ' A' ' 43' ' ' VAL . 22.4 mt -80.94 -24.08 38.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.482 HG12 ' H ' ' B' ' 234' ' ' VAL . 96.4 t -68.54 136.08 90.64 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.705 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.96 -42.26 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.58 -35.07 75.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 0.998 HG21 HG22 ' B' ' 228' ' ' THR . 69.1 t -82.73 -46.65 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.585 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.94 -45.86 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.72 -48.55 74.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.9 OUTLIER -67.64 -35.27 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.901 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.1 t -66.15 -52.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.664 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 23.4 mm -59.93 -50.69 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.54 -43.29 97.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -57.4 -44.65 84.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.901 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -65.72 -54.29 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -57.16 -43.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.0 OUTLIER -55.51 -38.24 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.423 HG21 ' CE2' ' B' ' 221' ' ' TYR . 19.2 m . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 214' ' ' SER . 4.4 mmtm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.0 93.75 4.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -136.18 166.84 22.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' B' ' 212' ' ' ASN . 2.9 m-85 -138.14 141.3 40.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -112.99 108.6 17.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.691 HG22 HG22 ' B' ' 210' ' ' VAL . 24.1 t -105.14 118.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 28.5 m -116.34 123.0 46.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.899 HG22 HG22 ' B' ' 208' ' ' VAL . 3.0 t -119.98 120.38 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.549 HG23 ' CA ' ' A' ' 18' ' ' SER . 89.9 m -127.88 143.48 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.603 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 6.2 m-20 -98.73 122.46 41.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.58 -15.57 54.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.403 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.2 OUTLIER -82.35 -35.9 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -111.38 -9.55 14.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.71 22.04 65.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.8 t -90.17 123.0 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 0.719 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.549 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -105.13 145.97 29.83 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG12 HD23 ' A' ' 42' ' ' LEU . 2.3 t -152.94 123.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.88 144.34 48.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.8 127.72 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.98 113.63 24.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 t -137.16 121.82 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.453 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.91 95.91 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 35.0 p -134.17 115.49 12.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -27.66 60.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.057 HG22 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -52.27 -21.47 3.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.612 ' O ' HG22 ' B' ' 239' ' ' ILE . 22.4 mt -62.83 -40.12 96.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.717 HD21 HG11 ' B' ' 243' ' ' VAL . 11.4 mt -74.57 -25.59 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' H ' ' A' ' 34' ' ' VAL . 98.2 t -61.52 134.26 93.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -75.05 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.78 -37.54 76.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.057 HG21 HG22 ' A' ' 28' ' ' THR . 17.0 t -81.13 -45.82 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.595 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.83 -48.31 81.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.719 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -57.8 -48.88 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.9 tm-20 -62.18 -35.33 78.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.14 -53.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.698 HG22 ' O ' ' B' ' 229' ' ' LEU . 20.2 mm -57.47 -50.63 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.4 t0 -61.6 -44.49 96.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.744 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -63.17 -50.28 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.582 ' CG2' HD13 ' B' ' 229' ' ' LEU . 2.0 t -63.17 -44.96 99.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.19 -39.38 69.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 110.453 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.61 107.83 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 12.6 p -147.54 162.84 38.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.478 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 4.5 m-85 -135.47 141.34 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.9 m -112.61 108.85 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 10' ' ' VAL . 34.2 t -108.57 113.57 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.477 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.1 m -102.58 147.77 26.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.691 HG22 HG22 ' A' ' 8' ' ' VAL . 2.3 t -140.07 114.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 59.8 m -129.78 130.76 45.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.412 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.589 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 0.2 OUTLIER -98.87 100.15 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.71 -17.11 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -68.3 -37.8 81.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.961 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . 0.497 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.7 t30 -112.88 -8.12 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 69.35 12.65 66.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . 0.406 ' HB ' ' OD1' ' B' ' 212' ' ' ASN . 25.1 t -86.54 125.47 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.229 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.433 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -110.4 150.12 29.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 218' ' ' SER . 37.3 t -152.63 129.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.393 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.477 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.69 144.05 46.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.75 ' HE1' HG21 ' B' ' 245' ' ' THR . 2.0 m-85 -139.87 128.02 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -103.43 114.68 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.93 151.93 47.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 1.6 tm-20 -106.94 94.38 5.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.6 ' O ' HD12 ' B' ' 229' ' ' LEU . 46.3 p -135.28 106.11 10.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.6 Cg_endo -74.97 -82.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.551 1.816 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.46 -30.57 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.112 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.86 -37.68 53.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.698 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.6 mt -52.22 -36.33 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 43' ' ' VAL . 26.9 mt -79.94 -22.14 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.3 t -70.6 136.67 85.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.719 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.94 -42.68 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.1 -34.99 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.112 HG21 HG22 ' B' ' 228' ' ' THR . 59.0 t -82.66 -46.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.55 -45.77 85.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.68 -47.7 76.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.8 OUTLIER -66.41 -35.28 79.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.637 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.41 -52.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 29' ' ' LEU . 7.0 mm -60.19 -49.29 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.98 -41.01 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 0.8 OUTLIER -58.43 -45.45 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.637 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -62.58 -50.34 71.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . 0.717 HG11 HD21 ' A' ' 30' ' ' LEU . 1.5 t -62.35 -44.51 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.427 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.78 -37.72 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.75 HG21 ' HE1' ' B' ' 221' ' ' TYR . 23.9 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.475 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.75 93.59 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -143.23 160.35 40.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.41 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.58 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 4.6 m-85 -132.46 142.82 49.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -112.47 109.81 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.593 1.183 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.79 HG22 HG22 ' B' ' 210' ' ' VAL . 7.2 t -105.25 115.06 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 93.5 m -113.43 128.95 56.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 1.028 HG22 HG22 ' B' ' 208' ' ' VAL . 5.6 t -125.31 121.39 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.567 HG23 ' CA ' ' A' ' 18' ' ' SER . 80.0 m -127.58 144.92 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.6 m-20 -99.14 122.01 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.468 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.3 -15.37 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.32 -36.38 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -111.13 -7.16 14.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.74 23.49 61.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.587 1.179 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 t -90.34 120.22 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.567 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -102.49 145.52 29.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.08 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 18' ' ' SER . 3.2 t -152.84 124.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.05 144.57 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.11 128.36 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -97.98 113.51 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.3 t -137.04 129.79 30.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.21 95.92 10.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.6 p -133.77 112.47 12.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 -86.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.58 -28.14 61.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.011 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.2 -34.38 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.685 ' O ' HG22 ' B' ' 239' ' ' ILE . 24.2 mt -54.47 -36.25 63.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -80.34 -26.13 38.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 89.2 t -63.03 137.38 97.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.02 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.773 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.73 -44.77 90.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.011 HG21 HG22 ' A' ' 28' ' ' THR . 72.0 t -72.15 -44.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.5 -48.31 80.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.724 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.52 -48.81 79.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -61.73 -35.11 77.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.536 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -68.67 -52.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.755 HG22 ' O ' ' B' ' 229' ' ' LEU . 33.4 mm -59.85 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -62.14 -42.31 99.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.5 t0 -58.8 -44.52 90.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.803 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -59.93 -52.26 66.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.627 HG11 HD21 ' B' ' 230' ' ' LEU . 1.6 t -63.64 -44.15 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.08 -37.13 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 110.5 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 204' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.76 107.83 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 205' ' ' THR . . . . . 0.493 HG22 ' HB2' ' B' ' 224' ' ' GLU . 11.5 p -147.84 166.9 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 206' ' ' TYR . . . . . 0.549 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 3.2 m-85 -137.07 143.32 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.7 m -111.79 107.73 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 208' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 10' ' ' VAL . 50.3 t -106.17 119.33 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 209' ' ' THR . . . . . 0.48 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.9 m -112.14 147.11 36.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 210' ' ' VAL . . . . . 0.79 HG22 HG22 ' A' ' 8' ' ' VAL . 2.6 t -140.35 114.13 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 211' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 57.1 m -122.38 134.6 54.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 212' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -97.08 101.15 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -14.03 29.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 214' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 1.2 p -82.06 -34.92 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 215' ' ' ASN . . . . . 0.403 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.2 t30 -111.02 0.24 16.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 216' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.14 17.18 16.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 217' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 215' ' ' ASN . 43.4 t -90.76 125.16 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 218' ' ' SER . . . . . 0.478 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -114.31 142.31 46.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 219' ' ' VAL . . . . . . . . . . . . . 4.2 t -149.84 137.04 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.326 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 220' ' ' ASP . . . . . 0.482 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -117.11 148.92 41.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 221' ' ' TYR . . . . . 0.755 ' CD1' HD23 ' B' ' 242' ' ' LEU . 3.9 m-85 -137.96 126.31 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.45 114.0 27.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -138.43 151.93 47.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . 0.493 ' HB2' HG22 ' B' ' 205' ' ' THR . 28.0 tt0 -104.98 93.29 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 225' ' ' THR . . . . . 0.5 ' O ' HD12 ' B' ' 229' ' ' LEU . 5.3 p -134.58 107.12 10.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 38.4 mmt -74.94 -29.18 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 228' ' ' THR . . . . . 1.003 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.07 -33.91 41.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.46 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 229' ' ' LEU . . . . . 0.755 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.1 mt -53.75 -32.94 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 230' ' ' LEU . . . . . 0.627 HD21 HG11 ' A' ' 43' ' ' VAL . 19.1 mt -83.93 -22.01 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 231' ' ' VAL . . . . . 0.597 HG12 ' H ' ' B' ' 234' ' ' VAL . 88.4 t -67.96 134.02 91.94 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.214 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 232' ' ' PRO . . . . . 0.724 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.02 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.5 -34.29 73.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 234' ' ' VAL . . . . . 1.003 HG21 HG22 ' B' ' 228' ' ' THR . 96.3 t -82.42 -46.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 235' ' ' ALA . . . . . 0.549 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -65.4 -43.96 88.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 236' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 32' ' ' PRO . . . -56.43 -48.48 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 237' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 5.5 tt0 -66.85 -35.61 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 238' ' ' VAL . . . . . 0.909 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.0 t -65.71 -55.32 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 239' ' ' ILE . . . . . 0.745 HD11 HD11 ' A' ' 39' ' ' ILE . 30.0 mm -56.93 -51.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 241' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.0 -44.36 87.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 242' ' ' LEU . . . . . 0.909 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -59.48 -49.78 76.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.8 t -67.93 -45.55 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 244' ' ' ASN . . . . . 0.435 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.07 -38.5 68.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 245' ' ' THR . . . . . 0.427 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 3.7 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.462 0.173 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -127.04 81.66 0.35 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -105.72 171.15 7.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.05 93.25 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.465 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 59.3 p -137.07 163.25 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.543 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.14 142.46 42.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.3 m -118.33 109.22 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.689 HG22 HG22 ' B' ' 210' ' ' VAL . 51.3 t -103.22 119.14 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 0.0 109.373 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 36.9 m -111.88 123.19 49.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.0 HG22 HG22 ' B' ' 208' ' ' VAL . 3.5 t -118.5 124.16 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.547 HG23 ' CA ' ' A' ' 18' ' ' SER . 79.9 m -131.76 143.9 50.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.413 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.587 ' OD1' ' CE1' ' B' ' 206' ' ' TYR . 1.2 m-20 -99.07 121.51 41.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -81.63 -15.85 53.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.454 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.36 -35.88 24.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -110.48 -9.84 14.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.562 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 64.22 23.17 67.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.66 ' CG1' HG13 ' A' ' 46' ' ' VAL . 10.4 t -90.67 121.93 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 0.725 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.547 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -104.79 146.36 29.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.949 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG12 HD23 ' A' ' 42' ' ' LEU . 2.7 t -152.67 124.87 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.229 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -120.69 140.82 51.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.3 m-85 -140.54 129.09 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.067 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -90.86 114.33 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.4 t -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.463 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.6 pt-20 -88.58 95.8 10.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.2 p -133.33 118.44 14.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.757 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.82 -27.63 57.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.103 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -52.21 -20.27 2.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.442 1.088 . . . . 0.0 110.352 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.552 ' O ' HG22 ' B' ' 239' ' ' ILE . 29.0 mt -64.63 -40.24 95.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 HG11 ' B' ' 243' ' ' VAL . 14.8 mt -73.96 -26.34 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' ' 34' ' ' VAL . 85.7 t -60.38 133.88 91.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.544 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -74.96 -43.85 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.517 1.798 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -57.89 -36.95 73.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.103 HG21 HG22 ' A' ' 28' ' ' THR . 24.5 t -81.19 -45.32 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.656 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.82 -44.37 96.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.75 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.96 -49.26 78.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.95 -34.67 76.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.531 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.62 -52.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.758 HG22 ' O ' ' B' ' 229' ' ' LEU . 16.5 mm -60.3 -43.61 93.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.9 -40.62 72.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.2 t70 -58.4 -44.4 88.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.718 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -64.31 -51.42 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.655 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.5 t -60.19 -47.12 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.74 -36.67 67.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.416 1.073 . . . . 0.0 109.28 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.575 HG21 ' CE1' ' A' ' 21' ' ' TYR . 2.0 m -72.42 -41.37 66.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.66 HG13 ' CG1' ' A' ' 17' ' ' VAL . 4.7 t -60.94 -44.35 97.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.598 ' NH2' HD11 ' B' ' 230' ' ' LEU . 12.4 mtm180 -72.94 -26.46 61.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.95 -37.1 66.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.049 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -74.02 -23.46 59.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -77.98 -47.18 19.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 47' ' ' ARG . 14.2 p -83.7 155.23 23.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.423 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 51' ' ' THR . 20.7 tt0 80.23 -57.57 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.543 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -100.9 176.34 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.616 1.197 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.543 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.0 OUTLIER 27.07 83.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 80.33 147.69 0.09 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.485 1.115 . . . . 0.0 109.561 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -84.49 159.0 20.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.86 136.9 25.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.1 t -153.68 -72.52 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 108.271 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.68 -57.2 6.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.438 ' CD1' ' C ' ' A' ' 60' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 7.1 mtm . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.547 0.213 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -156.61 81.05 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.448 1.092 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.79 154.24 33.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . 0.454 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.72 107.9 18.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.05 166.52 27.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.587 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -136.94 145.26 44.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 3.2 m -116.25 107.99 15.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 1.0 HG22 HG22 ' A' ' 10' ' ' VAL . 48.0 t -109.87 115.94 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 2.1 m -104.99 150.27 25.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.447 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.699 HG12 HG21 ' B' ' 246' ' ' VAL . 2.2 t -139.64 114.6 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.496 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 3.1 m -125.05 132.06 53.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.4 OUTLIER -96.75 99.3 10.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . 0.406 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -60.4 -12.64 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.01 -35.49 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.033 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -110.54 -2.62 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.363 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.53 13.35 37.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.645 HG12 HG13 ' B' ' 246' ' ' VAL . 79.0 t -89.28 144.99 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 0.741 . . . . 0.0 109.23 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.496 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.0 t -127.27 154.73 44.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.013 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.746 ' HB ' HG22 ' B' ' 246' ' ' VAL . 45.5 t -155.24 124.82 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.84 143.97 43.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.3 m-85 -140.75 127.58 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -101.54 113.42 26.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -138.11 149.17 45.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.23 95.09 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.531 ' O ' HD12 ' B' ' 229' ' ' LEU . 19.8 p -133.58 108.58 12.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.352 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.457 1.767 . . . . 0.0 111.019 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.7 mtm -75.02 -29.66 60.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.081 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.11 -36.39 50.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 110.437 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.758 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.6 mt -51.23 -32.35 23.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.598 HD11 ' NH2' ' A' ' 47' ' ' ARG . 27.3 mt -82.78 -25.99 32.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.562 HG12 ' H ' ' B' ' 234' ' ' VAL . 95.3 t -63.97 134.64 96.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.75 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.6 Cg_endo -74.88 -43.53 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.69 -35.42 74.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.081 HG21 HG22 ' B' ' 228' ' ' THR . 60.6 t -81.84 -45.99 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.572 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.61 -42.3 95.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.375 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.544 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -58.06 -47.88 81.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -68.18 -35.18 77.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.364 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.893 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.5 t -68.61 -39.37 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.656 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 9.4 mm -75.24 -44.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -68.51 -40.97 80.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.2 t70 -60.09 -45.68 92.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 1.004 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -61.06 -49.14 78.54 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.6 t -64.65 -45.19 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.45 -36.5 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.455 HG21 ' CE2' ' B' ' 221' ' ' TYR . 88.7 m -71.9 -43.91 64.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.444 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 1.004 HG23 ' O ' ' B' ' 242' ' ' LEU . 19.2 t -60.23 -43.93 94.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -73.24 -26.99 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.296 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.5 p -53.26 -36.16 60.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -71.87 -22.43 61.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.49 -32.29 58.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 16.0 p -93.1 141.28 28.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.373 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -49.45 -40.11 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.25 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -77.47 133.93 38.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.44 1.088 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.05 27.83 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -104.58 103.7 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.4 1.063 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -115.22 136.81 52.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 2.6 m -63.93 118.23 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 8.9 t -163.34 58.44 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.355 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 61.58 132.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 4.7 p-90 . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.45 0.167 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.47 83.54 0.42 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' B' ' 214' ' ' SER . 2.4 mmtt -103.66 170.18 8.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.1 93.29 4.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.23 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.442 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 65.8 p -135.71 163.4 30.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.676 ' CD2' HD11 ' A' ' 29' ' ' LEU . 4.5 m-85 -136.73 140.68 42.79 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.484 1.115 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.21 109.88 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.586 HG22 HG22 ' B' ' 210' ' ' VAL . 64.4 t -102.21 129.41 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 13.4 m -124.43 124.16 41.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.4 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.062 HG22 HG22 ' B' ' 208' ' ' VAL . 2.6 t -119.05 125.35 74.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 17' ' ' VAL . 52.2 m -131.09 142.3 50.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.445 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.2 m-20 -101.25 100.39 10.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.453 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -61.62 -13.27 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.424 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.0 OUTLIER -81.71 -35.0 30.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -110.79 -1.67 16.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.32 14.68 34.85 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 11' ' ' THR . 56.2 t -90.02 139.46 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.511 ' O ' HG23 ' A' ' 19' ' ' VAL . 39.6 t -119.27 157.44 28.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.807 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.3 t -155.03 124.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.66 138.63 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.69 ' CE2' HG21 ' A' ' 45' ' ' THR . 0.7 OUTLIER -141.48 128.05 20.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.957 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -89.86 112.73 24.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 t -136.83 120.13 16.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.437 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -88.47 96.49 10.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.213 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 22.2 p -132.41 114.27 14.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -87.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -28.44 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.082 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.41 -33.1 28.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.82 ' HB3' HG21 ' B' ' 243' ' ' VAL . 19.0 mt -54.26 -36.48 63.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.703 HD21 HG11 ' B' ' 243' ' ' VAL . 14.9 mt -81.74 -23.54 36.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 97.4 t -65.97 135.25 95.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.03 -41.98 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.557 1.819 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.2 -38.69 77.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.082 HG21 HG22 ' A' ' 28' ' ' THR . 72.8 t -81.67 -45.54 20.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.47 -48.28 81.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.732 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.38 -49.37 77.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 9.0 mm-40 -63.29 -34.51 77.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.402 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.929 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -69.02 -48.98 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.7 HG22 ' O ' ' B' ' 229' ' ' LEU . 10.7 mm -64.12 -47.29 90.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.251 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -65.88 -44.54 85.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.9 t70 -57.03 -44.45 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.005 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -64.22 -53.79 43.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.679 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.5 t -57.43 -48.45 82.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.48 -35.1 65.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.69 HG21 ' CE2' ' A' ' 21' ' ' TYR . 22.7 m -73.98 -43.72 57.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.354 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.005 HG23 ' O ' ' A' ' 42' ' ' LEU . 4.5 t -60.45 -41.37 87.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -73.48 -31.56 63.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.46 -33.9 60.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.955 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -70.74 -25.52 62.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.536 ' OD1' ' CZ2' ' A' ' 60' ' ' TRP . 1.8 t0 -64.49 -38.65 91.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -98.61 173.44 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.451 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' N ' ' OG1' ' A' ' 51' ' ' THR . 4.7 pm0 -80.64 -27.89 37.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 51' ' ' THR . 2.9 p30 -103.48 135.49 44.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.092 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -114.19 51.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -146.56 -57.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -106.14 136.75 45.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 60' ' ' TRP . 11.7 p -95.47 156.77 3.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 O-C-N 124.437 1.086 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 p -163.46 -46.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 108.302 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.25 -51.32 2.59 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.536 ' CZ2' ' OD1' ' A' ' 50' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 8.9 mtp . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.465 0.174 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 70.02 54.98 9.93 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.55 154.12 27.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 0.764 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.15 108.12 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.453 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 34.7 p -147.9 163.05 37.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.617 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.3 m-85 -137.02 146.54 45.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.9 m -122.86 108.34 12.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 1.062 HG22 HG22 ' A' ' 10' ' ' VAL . 37.6 t -103.16 111.88 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.541 HG23 ' HB3' ' B' ' 220' ' ' ASP . 0.6 OUTLIER -97.42 144.21 27.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.407 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.667 ' HB ' HD22 ' B' ' 242' ' ' LEU . 2.3 t -139.64 114.08 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.438 HG23 ' CA ' ' B' ' 218' ' ' SER . 51.0 m -128.14 136.58 51.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.404 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.617 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.9 m-20 -97.02 118.1 32.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.09 -10.86 59.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.247 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.437 ' OG ' ' ND2' ' B' ' 215' ' ' ASN . 0.9 OUTLIER -79.58 -38.12 34.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.423 1.077 . . . . 0.0 109.962 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.437 ' ND2' ' OG ' ' B' ' 214' ' ' SER . 0.8 OUTLIER -112.45 -10.33 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.93 15.38 76.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.744 HG12 HG13 ' B' ' 246' ' ' VAL . 51.8 t -82.43 125.97 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.438 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.4 146.32 37.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.584 ' HB ' HG22 ' B' ' 246' ' ' VAL . 73.1 t -153.26 130.79 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.541 ' HB3' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -121.98 145.79 47.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.375 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.469 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.8 m-85 -141.28 128.48 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -101.28 115.13 29.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . 0.405 ' O ' ' N ' ' B' ' 206' ' ' TYR . 6.1 t -137.1 150.32 47.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.16 94.69 5.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.571 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.94 108.89 11.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.426 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -84.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.537 1.809 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -75.54 -28.86 59.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 0.992 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.57 -35.77 54.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.562 1.163 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.2 mt -52.0 -34.76 44.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 30.7 mt -79.67 -26.7 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.0 t -64.48 134.57 96.04 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.732 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -74.99 -42.46 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.16 -35.47 75.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 0.992 HG21 HG22 ' B' ' 228' ' ' THR . 96.9 t -81.88 -46.7 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.76 -44.06 94.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.521 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -56.64 -48.0 78.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.5 OUTLIER -65.74 -34.39 78.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.581 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.3 t -67.69 -48.71 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.406 1.067 . . . . 0.0 109.353 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.74 HG22 ' O ' ' A' ' 29' ' ' LEU . 29.7 mm -65.36 -46.09 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -66.88 -41.03 87.93 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.534 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.6 t70 -59.99 -45.06 93.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 1.014 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -63.13 -48.53 78.1 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.1 t -64.32 -43.49 97.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.425 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.33 -37.25 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.469 HG21 ' CE2' ' B' ' 221' ' ' TYR . 32.4 m -73.81 -42.44 60.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.367 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 1.014 HG23 ' O ' ' B' ' 242' ' ' LEU . 21.6 t -60.99 -40.58 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . 0.446 ' O ' HG23 ' B' ' 251' ' ' THR . 2.7 mtt180 -73.27 -29.87 63.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.8 p -53.05 -47.23 68.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.175 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -26.66 62.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -69.1 -31.29 69.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.446 HG23 ' O ' ' B' ' 247' ' ' ARG . 33.2 p -104.3 161.19 14.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.38 -24.0 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -111.89 134.6 53.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -110.59 145.06 38.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.62 108.55 7.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.61 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -116.16 134.07 55.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.8 p -102.46 155.95 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 62.04 161.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 108.279 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . 0.416 ' O ' ' CD1' ' B' ' 260' ' ' TRP . . . 76.33 107.19 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . 0.416 ' CD1' ' O ' ' B' ' 259' ' ' GLY . 1.7 m95 . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mtm . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.43 0.157 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.51 76.07 0.27 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.589 1.18 . . . . 0.0 111.049 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 3.7 mptt -105.73 167.36 9.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.236 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.22 93.81 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' HB3' ' A' ' 24' ' ' GLU . 69.9 p -142.77 155.61 44.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.619 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 3.9 m-85 -130.06 139.57 50.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 48.1 m -112.48 113.15 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 110.427 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.703 HG22 HG22 ' B' ' 210' ' ' VAL . 51.4 t -106.23 120.62 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' OD2' ' A' ' 20' ' ' ASP . 25.9 m -113.07 124.57 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.055 HG22 HG22 ' B' ' 208' ' ' VAL . 2.7 t -121.4 120.65 62.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.539 HG23 ' CA ' ' A' ' 18' ' ' SER . 59.6 m -129.19 145.33 51.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.511 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.602 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 1.5 m-20 -99.91 122.36 42.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.474 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -82.66 -14.99 53.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.401 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -83.28 -35.94 24.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -111.28 -10.43 14.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.31 23.14 69.84 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.632 ' CG1' HG13 ' A' ' 46' ' ' VAL . 11.1 t -89.97 120.12 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 0.787 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.539 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -104.83 143.27 33.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 18' ' ' SER . 2.4 t -153.94 124.48 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.554 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.77 145.31 47.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.608 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.2 m-85 -139.96 128.47 22.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -92.94 113.92 26.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 1.152 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -136.19 126.59 26.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.45 96.44 10.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.545 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.6 p -132.9 116.13 14.54 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.01 -27.42 61.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 111.057 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.023 ' HB ' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -50.75 -25.47 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.813 ' HB3' HG21 ' B' ' 243' ' ' VAL . 13.2 mt -58.99 -41.27 87.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.449 HD21 HG11 ' B' ' 243' ' ' VAL . 5.4 mt -78.65 -25.35 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.624 HG12 ' H ' ' A' ' 34' ' ' VAL . 87.1 t -61.74 134.5 93.96 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.525 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.05 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.467 1.772 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.85 -36.18 76.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.023 HG11 ' HB ' ' A' ' 28' ' ' THR . 92.6 t -79.96 -44.12 22.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.625 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.94 -45.3 86.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.739 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.9 -48.9 79.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 12.5 tt0 -61.22 -34.5 75.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.762 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -70.18 -51.61 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.874 HD11 HD11 ' B' ' 239' ' ' ILE . 25.4 mm -61.28 -42.5 93.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -71.68 -40.84 69.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 2.8 t70 -59.34 -44.92 92.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -63.6 -51.18 66.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.677 HG11 HD21 ' B' ' 230' ' ' LEU . 1.5 t -60.61 -47.37 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.78 -36.6 67.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.608 HG21 ' CE1' ' A' ' 21' ' ' TYR . 4.8 m -74.16 -38.65 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.416 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.632 HG13 ' CG1' ' A' ' 17' ' ' VAL . 5.9 t -61.05 -45.77 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -72.74 -30.43 64.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.113 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 m -55.04 -34.47 63.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.964 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.78 -32.38 62.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.61 -47.13 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.5 p -76.37 148.69 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 75.2 -61.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 110.342 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 174.26 10.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.62 163.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 31.4 m80 51.35 99.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.578 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -111.14 134.29 52.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.538 HG23 ' HD1' ' A' ' 60' ' ' TRP . 2.9 m -64.53 117.24 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 9.5 t -69.88 88.46 0.56 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 108.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.74 -128.85 2.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.538 ' HD1' HG23 ' A' ' 57' ' ' VAL . 1.1 p-90 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 8.4 mtp . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.475 0.179 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -134.32 61.36 0.64 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.546 1.154 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -121.32 155.17 35.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.603 0.825 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . 0.401 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.01 108.05 19.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.474 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 15.9 p -147.38 166.29 27.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.602 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -137.22 143.65 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 7.9 m -112.74 108.25 17.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 110.342 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 1.055 HG22 HG22 ' A' ' 10' ' ' VAL . 34.1 t -108.73 113.9 45.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.501 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -104.42 147.2 27.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 110.429 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.865 HG12 HG21 ' B' ' 246' ' ' VAL . 2.1 t -140.36 114.34 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 54.8 m -127.44 135.53 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.372 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.619 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.6 m-20 -96.54 118.44 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . 0.413 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -76.89 -14.25 59.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -82.6 -35.25 27.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -109.91 -5.98 15.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 60.72 18.14 51.71 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.803 HG12 HG13 ' B' ' 246' ' ' VAL . 53.8 t -90.01 127.26 42.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.76 . . . . 0.0 109.235 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.442 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -112.38 146.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.797 ' HB ' HG22 ' B' ' 246' ' ' VAL . 61.8 t -153.16 132.87 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.501 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -120.72 144.94 47.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.551 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.0 m-85 -140.36 128.33 22.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.065 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -99.68 115.11 28.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.293 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.1 t -137.34 151.4 48.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.425 ' HB2' HG22 ' B' ' 205' ' ' THR . 42.3 tt0 -109.04 94.85 5.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.143 . . . . 0.0 110.272 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.524 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.97 108.59 11.68 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -83.73 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.466 1.772 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.8 mtm -75.69 -29.48 59.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.024 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.28 -35.63 50.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.445 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.9 mt -51.79 -32.9 33.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.677 HD21 HG11 ' A' ' 43' ' ' VAL . 22.1 mt -82.25 -24.77 34.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 96.3 t -66.36 134.37 94.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.739 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.97 -42.87 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.37 -35.6 74.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.024 HG21 HG22 ' B' ' 228' ' ' THR . 54.3 t -82.05 -46.13 19.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.561 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.91 -43.63 92.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -57.02 -47.75 80.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.2 OUTLIER -66.87 -34.91 78.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.845 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.8 t -66.1 -49.91 72.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.874 HD11 HD11 ' A' ' 39' ' ' ILE . 23.4 mm -63.53 -50.82 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.25 -43.86 97.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.23 -45.04 88.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.977 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -63.3 -50.36 70.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.813 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.4 t -62.27 -45.79 97.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.58 -36.23 66.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.551 HG21 ' CE2' ' B' ' 221' ' ' TYR . 22.3 m -74.88 -41.84 59.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.388 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.977 HG23 ' O ' ' B' ' 242' ' ' LEU . 30.6 t -61.46 -40.5 86.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -73.52 -30.03 62.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 7.7 t -54.31 -41.7 69.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.95 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -70.53 -27.56 64.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -64.83 -59.43 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.481 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.9 OUTLIER -79.58 176.32 9.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.593 1.183 . . . . 0.0 110.377 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . 0.481 ' N ' ' OG1' ' B' ' 251' ' ' THR . 42.7 mm-40 -92.19 26.83 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.65 172.42 6.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -142.26 168.31 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.95 170.85 17.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -120.99 150.38 41.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.6 p -103.72 157.16 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 69.41 154.98 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . 0.492 ' O ' ' CG ' ' B' ' 260' ' ' TRP . . . 110.13 -162.25 12.69 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . 0.492 ' CG ' ' O ' ' B' ' 259' ' ' GLY . 65.5 p-90 . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ttp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.547 0.213 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.28 -52.61 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.096 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' B' ' 214' ' ' SER . 16.4 mmtt -101.15 168.85 9.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.601 0.824 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.429 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.36 93.85 4.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p -137.29 164.8 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.716 ' CG ' HD11 ' A' ' 29' ' ' LEU . 2.0 m-85 -137.96 142.35 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 m -114.71 109.5 18.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.102 . . . . 0.0 110.382 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.533 HG22 HG22 ' B' ' 210' ' ' VAL . 29.2 t -105.29 119.62 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.7 m -116.61 124.02 48.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.182 . . . . 0.0 110.383 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.967 HG22 HG22 ' B' ' 208' ' ' VAL . 4.1 t -117.43 127.08 74.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.594 1.184 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 17' ' ' VAL . 81.1 m -131.81 139.67 48.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.542 ' O ' ' N ' ' A' ' 16' ' ' GLY . 14.7 p30 -100.6 99.56 10.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -58.12 -15.49 9.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.69 -34.61 58.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.415 1.072 . . . . 0.0 109.967 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.74 -4.69 15.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.09 11.04 36.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.492 1.12 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 11' ' ' THR . 78.4 t -88.87 144.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 19' ' ' VAL . 41.1 t -120.16 159.76 24.23 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.756 ' HB ' HG22 ' A' ' 46' ' ' VAL . 4.2 t -153.69 124.35 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.11 . . . . 0.0 109.244 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -116.09 139.57 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 5.3 m-85 -139.97 126.74 20.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -92.78 113.32 25.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.607 1.192 . . . . 0.0 110.272 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.6 t -137.97 119.56 15.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.84 95.62 10.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.477 ' O ' HD12 ' A' ' 29' ' ' LEU . 5.7 p -133.6 115.28 13.5 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.08 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -90.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.431 1.753 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -28.42 60.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.996 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -53.01 -30.71 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.378 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.856 ' HB3' HG21 ' B' ' 243' ' ' VAL . 13.2 mt -52.47 -29.43 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.221 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 mt -82.37 -30.15 30.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.535 HG23 ' HA ' ' A' ' 28' ' ' THR . 99.2 t -56.26 134.67 75.54 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.565 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.98 -42.27 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.65 -36.77 74.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.996 HG21 HG22 ' A' ' 28' ' ' THR . 37.2 t -81.47 -45.82 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.609 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.18 -48.27 79.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.237 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.718 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -56.5 -48.81 76.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 13.7 tt0 -62.88 -35.2 79.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.846 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.63 -45.9 80.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.824 HD11 HD11 ' B' ' 239' ' ' ILE . 43.4 mm -67.93 -45.08 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.77 -45.04 76.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.6 t70 -59.37 -44.21 92.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.846 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -66.26 -51.39 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.3 t -58.8 -44.39 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.18 -36.71 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 33.4 m -74.03 -42.67 59.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.431 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.809 HG21 HG12 ' A' ' 10' ' ' VAL . 46.1 t -60.86 -40.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -73.79 -30.95 63.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m -54.9 -31.51 60.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.953 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.01 -23.4 59.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -64.08 -32.97 74.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.485 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 1.2 t -100.77 176.89 5.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 110.341 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' N ' ' OG1' ' A' ' 51' ' ' THR . 5.7 mt-10 -61.08 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -64.83 143.59 57.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -104.53 92.9 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.341 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -167.94 -74.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.587 1.179 . . . . 0.0 109.6 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -121.25 158.49 27.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.47 149.5 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.3 t -133.52 -62.39 0.78 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 108.34 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -105.28 -104.98 2.98 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.44 1.088 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 3.5 mtp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.469 0.176 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -135.81 61.83 0.61 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -115.9 154.87 28.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.39 107.89 19.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.5 p -148.01 160.7 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.669 ' CG ' HD11 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -135.73 146.8 48.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 96.7 m -125.56 108.3 11.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 0.967 HG22 HG22 ' A' ' 10' ' ' VAL . 25.0 t -103.77 114.76 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 1.0 OUTLIER -97.3 148.28 23.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.378 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.76 HG12 HG21 ' B' ' 246' ' ' VAL . 2.7 t -139.79 114.36 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.482 HG23 ' HB3' ' B' ' 218' ' ' SER . 53.1 m -129.66 125.8 36.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 30.8 p30 -96.44 98.31 10.14 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.01 -16.78 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.429 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.3 p -72.6 -36.26 68.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.416 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.9 t30 -111.46 -3.74 15.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.09 14.62 47.25 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.49 ' N ' ' OD1' ' B' ' 212' ' ' ASN . 67.9 t -90.13 132.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.482 ' HB3' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -116.23 148.21 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.502 ' HB ' HG23 ' B' ' 246' ' ' VAL . 18.9 t -152.73 125.58 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.51 145.57 40.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.475 ' HE1' HG21 ' B' ' 245' ' ' THR . 4.6 m-85 -139.94 127.57 21.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -102.81 114.64 29.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.7 t -137.61 149.23 46.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.09 94.38 5.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.528 ' O ' HD12 ' B' ' 229' ' ' LEU . 23.9 p -133.39 110.9 12.67 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -86.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.5 mtm -74.72 -29.47 61.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.006 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.51 -35.65 41.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.903 ' HB3' HG21 ' A' ' 43' ' ' VAL . 15.8 mt -51.87 -32.98 34.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.466 HD21 HG11 ' A' ' 43' ' ' VAL . 18.6 mt -82.31 -23.24 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.538 HG12 ' H ' ' B' ' 234' ' ' VAL . 94.5 t -67.16 134.85 93.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.252 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.718 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.94 -42.93 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.449 1.763 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.72 -34.83 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.006 HG21 HG22 ' B' ' 228' ' ' THR . 95.8 t -82.62 -46.06 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.247 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.542 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -65.1 -46.96 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -53.88 -46.6 71.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -68.47 -35.06 77.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.605 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.9 t -68.16 -39.64 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.824 HD11 HD11 ' A' ' 39' ' ' ILE . 41.9 mm -74.92 -45.01 44.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.449 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -68.2 -40.34 82.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t70 -60.83 -45.27 95.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.375 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.661 HD22 ' HB ' ' B' ' 210' ' ' VAL . 0.3 OUTLIER -64.62 -48.56 74.44 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.856 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -62.61 -44.84 99.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.07 -36.52 68.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.475 HG21 ' HE1' ' B' ' 221' ' ' TYR . 22.5 m -73.44 -41.67 62.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.468 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.76 HG21 HG12 ' B' ' 210' ' ' VAL . 2.5 t -61.28 -44.36 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -73.47 -26.42 60.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.377 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 22.7 t -54.31 -40.71 68.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -22.43 62.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -62.29 -47.46 84.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -105.96 171.5 7.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.15 . . . . 0.0 110.422 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . 0.458 ' N ' ' OG1' ' B' ' 251' ' ' THR . 1.0 OUTLIER -95.66 53.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' B' ' 254' ' ' GLU . 7.5 t-20 -108.16 141.35 40.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.233 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' B' ' 255' ' ' HIS . 9.6 pt-20 37.98 -157.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . 0.419 ' N ' ' HG3' ' B' ' 254' ' ' GLU . 18.9 t-160 -173.53 -65.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.64 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -115.93 155.96 27.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . 0.428 ' H ' HG22 ' B' ' 257' ' ' VAL . 3.1 m -65.12 156.88 5.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 49.1 t -120.57 -64.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 108.244 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -132.02 -76.0 0.12 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mtp . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.506 0.193 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.29 78.52 0.37 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -103.2 168.48 9.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 0.738 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.58 93.68 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 24' ' ' GLU . 77.7 p -140.47 157.79 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 110.346 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.714 ' CG ' HD11 ' A' ' 29' ' ' LEU . 3.2 m-85 -131.33 139.66 49.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 m -112.56 108.32 17.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.437 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.526 HG22 HG22 ' B' ' 210' ' ' VAL . 71.4 t -103.39 125.37 57.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.566 HG23 ' OD2' ' A' ' 20' ' ' ASP . 85.9 m -120.04 123.68 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.442 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.935 HG22 HG22 ' B' ' 208' ' ' VAL . 7.0 t -121.35 119.1 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' A' ' 18' ' ' SER . 41.4 m -124.77 144.62 50.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.405 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.589 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 0.3 OUTLIER -100.55 112.3 24.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.476 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.74 -14.01 61.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.78 -36.37 28.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -111.31 -1.32 16.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.582 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 57.46 19.08 32.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 20.5 t -90.38 130.59 39.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -112.04 146.14 38.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.473 HG12 HD23 ' A' ' 42' ' ' LEU . 2.3 t -153.36 124.79 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.566 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -122.68 146.52 47.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -139.51 128.73 23.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.33 113.68 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.3 t -136.52 119.76 16.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.551 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -89.03 96.48 10.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.417 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 7.1 p -133.19 115.0 13.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 -91.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -27.59 59.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.038 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -53.13 -31.22 41.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.375 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.727 ' HB3' HG21 ' B' ' 243' ' ' VAL . 14.1 mt -51.24 -30.86 18.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.077 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.87 -28.73 39.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.563 HG23 ' HA ' ' A' ' 28' ' ' THR . 84.9 t -58.94 134.21 87.18 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.528 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.99 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -58.04 -34.87 70.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.038 HG21 HG22 ' A' ' 28' ' ' THR . 24.2 t -81.95 -45.45 20.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.65 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.39 -48.12 79.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.76 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -56.6 -48.57 77.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 18.8 mt-10 -62.27 -34.7 77.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.996 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.91 -46.27 74.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.734 HG22 ' O ' ' B' ' 229' ' ' LEU . 25.8 mm -67.55 -42.69 87.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.87 -40.97 71.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.5 t0 -57.92 -45.27 86.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.996 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -60.54 -51.89 67.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.597 HG11 HD21 ' B' ' 230' ' ' LEU . 1.7 t -62.2 -46.87 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -55.8 -36.54 67.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.42 -40.84 66.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.414 ' CG2' ' HB ' ' A' ' 19' ' ' VAL . 11.2 t -60.97 -45.82 97.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.6 mtt85 -72.74 -27.48 62.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 110.25 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 t -53.33 -39.18 63.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.78 -33.16 74.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.24 70.2 9.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -126.17 174.57 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.385 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' N ' ' OG1' ' A' ' 51' ' ' THR . 1.8 mt-10 -45.09 -52.86 8.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 110.235 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.53 175.54 8.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.511 ' HG3' ' CE1' ' A' ' 55' ' ' HIS . 5.1 pm0 -52.36 -30.94 31.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.511 ' CE1' ' HG3' ' A' ' 54' ' ' GLU . 2.3 p80 161.43 67.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.615 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -120.72 152.46 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -73.18 143.48 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.32 56.19 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.37 83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 66.0 mtp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.541 0.21 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 48.54 67.57 1.6 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.33 153.6 34.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.73 108.08 19.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.476 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.0 p -148.52 161.87 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.378 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.695 ' CD2' HD11 ' B' ' 229' ' ' LEU . 5.4 m-85 -137.46 141.29 41.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.5 m -114.38 108.73 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.333 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 10' ' ' VAL . 38.5 t -105.43 112.53 39.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.448 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -99.38 148.79 23.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.473 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.858 HG12 HG21 ' B' ' 246' ' ' VAL . 3.1 t -140.79 115.2 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' B' ' 218' ' ' SER . 57.2 m -129.12 130.52 46.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.071 . . . . 0.0 110.447 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 6' ' ' TYR . 25.5 p30 -96.73 100.64 12.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.595 1.185 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.46 -14.77 13.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -75.35 -35.98 61.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 110.032 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.431 ' HB2' ' ND2' ' B' ' 212' ' ' ASN . 2.5 t30 -111.49 -3.33 15.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.71 14.31 43.12 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.6 HG12 HG13 ' B' ' 246' ' ' VAL . 55.4 t -89.9 129.52 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.416 ' HA ' ' OG1' ' B' ' 211' ' ' THR . 0.2 OUTLIER -112.45 149.93 31.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.048 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.772 ' HB ' HG22 ' B' ' 246' ' ' VAL . 53.9 t -151.8 128.83 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.448 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -116.38 145.1 43.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.247 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.687 ' HE1' HG21 ' B' ' 245' ' ' THR . 3.1 m-85 -140.55 127.73 20.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -101.19 113.86 27.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.5 t -138.49 146.27 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.77 94.43 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.529 ' O ' HD12 ' B' ' 229' ' ' LEU . 18.1 p -133.58 108.71 12.11 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.455 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.2 mmt -74.8 -28.88 60.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.08 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.81 -34.82 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.734 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.2 mt -51.64 -32.94 31.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.597 HD21 HG11 ' A' ' 43' ' ' VAL . 23.5 mt -81.62 -26.12 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.545 HG12 ' H ' ' B' ' 234' ' ' VAL . 94.7 t -64.14 133.95 95.79 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.76 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.02 -42.73 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.29 -34.92 74.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.08 HG21 HG22 ' B' ' 228' ' ' THR . 73.7 t -82.19 -45.7 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.552 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.528 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -54.86 -48.79 72.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.1 tt0 -67.18 -35.11 78.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.52 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.7 t -67.46 -42.37 87.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.65 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mm -72.32 -47.84 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.31 -42.48 96.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.7 t0 -60.43 -44.68 95.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.94 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -63.17 -46.92 84.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.9 t -66.09 -45.7 89.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.03 -36.37 67.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.687 HG21 ' HE1' ' B' ' 221' ' ' TYR . 2.3 m -74.46 -40.72 61.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.94 HG23 ' O ' ' B' ' 242' ' ' LEU . 66.3 t -61.33 -42.76 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . 0.474 ' O ' HG23 ' B' ' 251' ' ' THR . 7.2 mtt180 -73.27 -29.52 62.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 5.1 p -53.61 -35.88 61.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -66.88 -29.95 69.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -75.83 -31.56 59.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.474 HG23 ' O ' ' B' ' 247' ' ' ARG . 21.0 p -94.28 161.66 14.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.08 -57.58 11.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.0 133.86 50.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 161.34 13.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 5.2 t60 63.53 149.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.549 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -119.26 158.25 26.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 5.7 p -78.19 127.29 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 25.5 p -167.4 169.29 12.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 108.272 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 54.65 -156.58 7.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mtp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.504 0.192 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 134.67 76.85 0.09 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -103.22 168.83 8.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.402 ' O ' ' OE2' ' A' ' 24' ' ' GLU . . . -106.87 93.93 4.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.407 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.8 p -140.22 158.27 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.601 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 5.6 m-85 -137.8 140.06 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.54 HG22 ' OD1' ' A' ' 20' ' ' ASP . 17.2 m -119.24 114.45 22.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.676 HG22 HG22 ' B' ' 210' ' ' VAL . 37.1 t -99.22 121.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.71 HG23 ' CG ' ' A' ' 20' ' ' ASP . 0.7 OUTLIER -107.48 126.39 52.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.37 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.959 HG22 HG22 ' B' ' 208' ' ' VAL . 4.1 t -125.64 120.12 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 17' ' ' VAL . 83.8 m -126.62 140.25 52.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.563 ' O ' ' N ' ' A' ' 16' ' ' GLY . 18.7 p30 -100.39 99.2 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.644 1.215 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.65 -16.03 9.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -34.84 60.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.31 -5.12 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.162 . . . . 0.0 109.238 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.32 12.87 47.18 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 110.96 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 11' ' ' THR . 71.5 t -90.63 144.4 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 19' ' ' VAL . 46.7 t -119.55 157.75 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.804 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.3 t -154.85 124.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.71 ' CG ' HG23 ' A' ' 9' ' ' THR . 1.8 t0 -115.79 145.19 43.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.632 ' HE1' HG21 ' A' ' 45' ' ' THR . 3.2 m-85 -139.84 127.31 21.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -99.24 111.87 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 t -137.33 131.48 32.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' OE2' ' O ' ' A' ' 4' ' ' ALA . 28.1 tt0 -89.29 94.95 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.5 p -134.57 113.23 11.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.123 . . . . 0.0 110.351 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -87.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.45 1.763 . . . . 0.0 111.064 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.74 -27.6 61.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.577 1.173 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.076 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.94 -24.96 7.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.406 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.651 ' O ' HG22 ' B' ' 239' ' ' ILE . 17.5 mt -60.16 -38.72 84.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD21 HG11 ' B' ' 243' ' ' VAL . 8.2 mt -79.84 -23.77 41.76 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.537 HG12 ' H ' ' A' ' 34' ' ' VAL . 78.3 t -63.52 136.63 96.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.07 -43.6 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.501 1.79 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.91 -35.88 73.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.076 HG21 HG22 ' A' ' 28' ' ' THR . 23.4 t -82.06 -44.59 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.645 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.58 -46.01 87.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.747 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.59 -49.68 76.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 10.3 mm-40 -62.03 -34.54 76.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.262 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.819 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -69.21 -48.02 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.689 HG22 ' O ' ' B' ' 229' ' ' LEU . 15.3 mm -65.99 -45.27 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.52 -44.42 78.42 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.5 t70 -58.53 -44.34 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -66.3 -50.95 61.91 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.823 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.4 t -59.24 -45.66 92.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.61 -37.31 67.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.632 HG21 ' HE1' ' A' ' 21' ' ' TYR . 65.7 m -73.83 -41.15 62.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.428 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.804 HG22 ' HB ' ' A' ' 19' ' ' VAL . 61.5 t -60.84 -42.63 93.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 16.0 mtt-85 -73.26 -29.81 63.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -53.47 -36.73 61.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.34 -22.92 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.24 -33.35 19.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.7 p -97.91 167.49 10.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 53' ' ' ASN . 2.3 pt-20 -64.61 -32.92 74.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.093 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 52' ' ' GLU . 5.9 p-10 -72.82 133.93 44.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.55 -0.9 10.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.49 -80.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.585 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -74.91 137.63 41.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 m -64.43 142.85 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.0 t -135.32 -56.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 108.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.18 163.56 31.07 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.432 1.082 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 3.6 m0 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.467 0.175 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -97.23 63.02 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -117.43 154.49 31.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 109.336 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -101.92 107.59 18.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.454 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.4 p -147.4 160.37 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 12' ' ' ASN . 6.2 m-85 -137.73 141.89 41.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 98.8 m -118.32 109.15 15.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.433 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 0.959 HG22 HG22 ' A' ' 10' ' ' VAL . 50.7 t -100.46 122.26 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.42 HG23 ' HA ' ' B' ' 220' ' ' ASP . 1.9 m -109.54 148.3 31.47 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 110.381 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.676 HG22 HG22 ' A' ' 8' ' ' VAL . 2.3 t -139.65 114.81 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.5 HG23 ' O ' ' B' ' 217' ' ' VAL . 51.9 m -125.54 132.04 52.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.371 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.601 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -97.59 104.41 16.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . 0.42 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -63.09 -12.53 27.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -80.97 -35.18 32.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.078 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.425 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.6 t30 -110.96 -0.72 16.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 58.2 15.08 21.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.565 HG12 HG13 ' B' ' 246' ' ' VAL . 79.1 t -90.25 145.33 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.466 ' O ' HG23 ' B' ' 219' ' ' VAL . 44.0 t -126.39 155.54 41.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.824 ' CG2' HG22 ' B' ' 246' ' ' VAL . 38.9 t -154.17 124.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.42 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -113.53 143.39 44.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.443 ' CE2' HG21 ' B' ' 245' ' ' THR . 2.3 m-85 -140.07 127.78 21.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.593 1.183 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -101.18 113.65 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.8 t -138.32 145.84 41.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.399 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.442 ' HB3' HG22 ' B' ' 205' ' ' THR . 0.0 OUTLIER -104.95 93.95 4.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.469 ' O ' HD12 ' B' ' 229' ' ' LEU . 2.2 p -135.03 110.29 10.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -83.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.503 1.791 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -29.59 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.057 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.66 -36.15 45.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 110.452 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.823 HD13 ' CG2' ' A' ' 43' ' ' VAL . 17.5 mt -52.73 -35.04 55.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.63 -24.83 41.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 71.8 t -66.82 134.0 94.06 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.747 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.0 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.519 1.8 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.68 -34.29 72.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.057 HG21 HG22 ' B' ' 228' ' ' THR . 68.1 t -82.81 -46.27 19.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.547 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.43 -42.91 91.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.528 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.53 -47.73 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 40.8 mt-10 -66.85 -35.62 80.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.577 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.8 t -66.31 -51.96 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 29' ' ' LEU . 20.4 mm -60.4 -51.23 75.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.225 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -62.61 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.4 t0 -57.26 -45.38 84.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.979 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -62.18 -50.61 71.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.0 t -62.43 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.406 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -56.31 -36.72 69.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.443 HG21 ' CE2' ' B' ' 221' ' ' TYR . 31.6 m -71.46 -43.84 65.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.979 HG23 ' O ' ' B' ' 242' ' ' LEU . 12.8 t -60.48 -43.65 94.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -72.94 -26.58 61.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . 0.576 ' O ' HG23 ' B' ' 251' ' ' THR . 0.3 OUTLIER -53.63 -31.28 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.013 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -72.86 -27.84 62.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -104.27 65.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.576 HG23 ' O ' ' B' ' 248' ' ' SER . 43.2 p -126.11 174.22 8.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -82.02 -39.38 23.63 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.434 1.084 . . . . 0.0 110.334 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.9 173.37 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -60.6 3.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.368 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 73.2 -61.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.592 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 8.4 p30 -101.87 151.54 21.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.36 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . 0.596 ' CG2' ' CD1' ' B' ' 260' ' ' TRP . 7.5 p -100.2 133.4 43.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.35 87.03 2.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 108.38 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 55.39 104.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.503 1.127 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . 0.596 ' CD1' ' CG2' ' B' ' 257' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.475 0.179 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.0 71.24 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.573 1.171 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -106.69 169.34 8.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.419 0.717 . . . . 0.0 109.333 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.54 4.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 73.1 p -143.65 161.08 39.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 110.468 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.784 ' CD2' HD11 ' A' ' 29' ' ' LEU . 7.0 m-85 -135.93 138.82 42.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.9 m -111.88 109.69 19.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.672 HG22 HG22 ' B' ' 210' ' ' VAL . 73.4 t -102.23 128.13 55.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.554 HG23 ' OD2' ' A' ' 20' ' ' ASP . 16.8 m -120.45 123.49 43.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.076 HG22 HG22 ' B' ' 208' ' ' VAL . 3.4 t -120.89 120.21 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.452 HG23 ' CA ' ' A' ' 18' ' ' SER . 54.5 m -128.1 144.11 51.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.628 HD21 HG11 ' A' ' 46' ' ' VAL . 0.9 OUTLIER -99.24 122.06 41.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.4 m-80 -82.16 -15.93 51.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.412 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -82.79 -35.57 26.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.574 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -110.78 -10.98 14.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.44 22.55 69.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.148 . . . . 0.0 111.037 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.806 HG11 HG13 ' A' ' 46' ' ' VAL . 14.7 t -90.44 122.38 41.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.452 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.1 OUTLIER -108.8 141.41 40.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.009 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.498 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 2.2 t -152.54 124.52 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.554 ' OD2' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.92 145.77 44.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.804 ' CE1' HG21 ' A' ' 45' ' ' THR . 2.0 m-85 -140.1 128.15 22.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -89.2 113.19 24.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.7 t -137.56 122.88 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.0 OUTLIER -89.39 96.8 10.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.539 ' O ' HD12 ' A' ' 29' ' ' LEU . 29.9 p -132.97 111.83 13.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.46 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -85.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.1 mtm -73.19 -29.41 62.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.02 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.85 -35.44 44.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.784 HD11 ' CD2' ' A' ' 6' ' ' TYR . 15.4 mt -51.85 -32.88 33.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.183 . . . . 0.0 109.309 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.3 mt -84.26 -24.01 30.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 34' ' ' VAL . 88.3 t -66.36 135.86 94.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.98 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.31 -35.17 73.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.02 HG21 HG22 ' A' ' 28' ' ' THR . 78.3 t -82.56 -45.07 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.584 1.178 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.642 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.92 -47.64 82.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.766 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.22 -48.22 81.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.608 1.192 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -61.52 -34.87 76.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.862 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -69.73 -49.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.837 HD11 HD11 ' B' ' 239' ' ' ILE . 22.9 mm -63.44 -45.06 98.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -69.07 -40.5 78.44 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 1.6 t70 -57.87 -45.18 86.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.862 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -62.4 -53.77 50.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.827 HG11 HD21 ' B' ' 230' ' ' LEU . 1.4 t -58.78 -47.53 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.58 -36.25 66.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.804 HG21 ' CE1' ' A' ' 21' ' ' TYR . 2.8 m -73.55 -40.39 64.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.806 HG13 HG11 ' A' ' 17' ' ' VAL . 5.9 t -60.83 -44.29 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -73.55 -31.2 63.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.257 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.8 m -53.92 -32.17 52.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.41 -30.17 64.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -88.76 -57.86 2.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -119.55 171.3 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' A' ' 51' ' ' THR . 0.1 OUTLIER 54.01 101.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 53' ' ' ASN . 3.4 t-20 -76.41 134.31 39.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.44 -15.51 13.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.9 -74.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.653 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -94.19 148.61 22.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -94.92 148.48 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.6 t -126.24 -59.73 1.3 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.469 1.106 . . . . 0.0 108.318 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.52 -108.99 3.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.422 ' CD1' ' C ' ' A' ' 60' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.525 0.202 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 60.73 59.21 10.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -122.54 155.38 36.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 0.759 . . . . 0.0 109.262 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -101.85 107.58 18.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.4 p -147.75 162.23 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.353 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.509 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 3.9 m-85 -136.64 141.81 43.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.4 m -112.86 108.37 17.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.351 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 1.076 HG22 HG22 ' A' ' 10' ' ' VAL . 46.8 t -105.95 115.86 48.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.502 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.4 m -104.62 146.46 28.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.771 HG12 HG21 ' B' ' 246' ' ' VAL . 2.1 t -139.86 114.1 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.414 ' OG1' ' HA ' ' B' ' 218' ' ' SER . 7.9 m -123.5 135.08 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.2 m-20 -96.15 117.83 31.5 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . 0.494 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -77.53 -14.64 59.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 1.5 t -82.15 -35.83 28.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -110.34 -5.29 15.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.39 1.056 . . . . 0.0 109.24 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.66 20.06 50.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.731 HG12 HG13 ' B' ' 246' ' ' VAL . 53.0 t -90.76 130.16 40.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.43 ' O ' HG23 ' B' ' 219' ' ' VAL . 0.1 OUTLIER -110.73 147.18 34.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.806 ' HB ' HG22 ' B' ' 246' ' ' VAL . 38.5 t -153.16 128.83 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.502 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -119.38 145.33 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.22 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -140.96 127.51 20.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -101.68 114.51 28.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.6 t -138.21 151.11 47.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.466 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.429 ' HB3' HG22 ' B' ' 205' ' ' THR . 0.0 OUTLIER -106.6 94.34 5.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.161 . . . . 0.0 110.345 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.585 ' O ' HD12 ' B' ' 229' ' ' LEU . 24.9 p -133.77 108.43 11.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.45 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -83.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.6 mtm -74.78 -28.66 60.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.021 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.14 -37.68 55.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.472 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 39' ' ' ILE . 18.9 mt -52.53 -36.66 55.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.222 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 43' ' ' VAL . 26.0 mt -78.83 -23.99 44.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.2 t -69.1 135.75 89.36 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.766 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.0 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.78 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.99 -34.67 73.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.23 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.021 HG21 HG22 ' B' ' 228' ' ' THR . 48.5 t -82.4 -46.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.409 1.068 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.554 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.56 -45.34 83.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.543 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -54.56 -47.74 72.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 47.0 mt-10 -66.95 -35.19 79.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.726 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.04 -50.11 71.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.837 HD11 HD11 ' A' ' 39' ' ' ILE . 20.9 mm -63.47 -51.24 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 1.8 tmtt? -61.57 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.0 t70 -58.82 -45.3 90.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.995 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -62.31 -51.84 66.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.751 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.6 t -61.49 -44.68 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.68 -36.57 67.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 22.2 m -74.27 -42.67 59.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.995 HG23 ' O ' ' B' ' 242' ' ' LEU . 10.5 t -60.55 -39.83 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . 0.787 ' O ' HG22 ' B' ' 251' ' ' THR . 0.0 OUTLIER -73.09 -33.59 65.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 47.1 t -53.72 -41.34 66.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.09 -29.77 62.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -66.94 -40.92 87.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.787 HG22 ' O ' ' B' ' 247' ' ' ARG . 0.1 OUTLIER -91.84 172.99 8.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . 0.446 ' N ' ' OG1' ' B' ' 251' ' ' THR . 0.5 OUTLIER -91.7 18.48 7.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -101.09 166.25 10.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -138.0 148.67 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.373 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -175.65 133.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.534 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -118.04 157.55 26.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . 0.443 HG13 ' O ' ' B' ' 257' ' ' VAL . 7.9 p -99.7 117.92 45.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.6 69.13 0.69 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 168.02 -64.93 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.45 0.167 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.95 80.14 0.32 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.539 1.149 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -104.03 169.23 8.62 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.558 0.799 . . . . 0.0 109.319 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.2 93.85 4.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.471 ' HA ' ' CB ' ' A' ' 24' ' ' GLU . 73.1 p -142.04 157.84 44.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.113 . . . . 0.0 110.44 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.774 ' CD2' HD11 ' A' ' 29' ' ' LEU . 6.3 m-85 -132.22 138.25 47.87 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.47 1.106 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.3 m -111.74 115.98 29.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.731 HG22 HG22 ' B' ' 210' ' ' VAL . 75.7 t -108.81 133.01 55.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 95.8 m -127.22 132.78 50.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.446 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.082 HG22 HG22 ' B' ' 208' ' ' VAL . 2.5 t -125.82 123.77 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 17' ' ' VAL . 73.0 m -126.23 140.3 52.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.616 ' H ' ' ND2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -101.88 99.51 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -58.67 -15.53 12.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.332 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -71.38 -35.96 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . 3.3 t30 -112.3 -10.57 13.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 72.0 11.19 74.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.455 1.097 . . . . 0.0 111.03 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.762 ' O ' HG23 ' A' ' 11' ' ' THR . 73.6 t -88.28 145.3 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.483 ' O ' HG23 ' A' ' 19' ' ' VAL . 42.0 t -120.79 160.04 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.611 ' CG2' HG22 ' A' ' 46' ' ' VAL . 2.5 t -153.96 124.53 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -119.33 140.28 50.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.852 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.9 m-85 -141.03 128.45 21.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -87.13 112.96 22.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 23' ' ' THR . 10.5 t -137.64 117.33 13.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' CB ' ' HA ' ' A' ' 5' ' ' THR . 1.7 pt-20 -89.39 96.58 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.492 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 17.1 p -131.73 116.3 15.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.411 1.069 . . . . 0.0 110.39 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -88.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.8 mmm -74.08 -28.98 61.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.024 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.1 -28.61 11.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.328 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.774 HD11 ' CD2' ' A' ' 6' ' ' TYR . 20.5 mt -57.86 -35.55 71.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.376 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.645 HD21 HG11 ' B' ' 243' ' ' VAL . 12.2 mt -82.9 -23.41 33.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.614 HG12 ' H ' ' A' ' 34' ' ' VAL . 69.5 t -64.37 134.81 96.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.5 Cg_endo -74.87 -43.42 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.75 -37.15 75.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.626 1.203 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.024 HG21 HG22 ' A' ' 28' ' ' THR . 84.4 t -81.19 -44.92 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.35 -46.52 88.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.728 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.61 -48.45 81.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.531 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 5.4 mt-10 -62.41 -34.27 76.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.619 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -70.1 -52.18 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.699 HG22 ' O ' ' B' ' 229' ' ' LEU . 33.5 mm -59.93 -43.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.82 -43.02 69.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.7 t70 -57.7 -44.66 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.245 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -62.79 -51.0 68.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.546 HG11 HD21 ' B' ' 230' ' ' LEU . 1.3 t -62.01 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.18 -35.62 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.852 HG21 ' CE1' ' A' ' 21' ' ' TYR . 1.8 m -73.2 -43.28 61.58 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.358 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.611 HG22 ' CG2' ' A' ' 19' ' ' VAL . 11.4 t -60.25 -42.14 89.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -72.68 -30.17 64.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -34.42 61.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.88 -28.84 67.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.175 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.96 85.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -118.35 171.51 8.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.371 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' A' ' 51' ' ' THR . 1.6 mt-10 -55.63 -64.46 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.297 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -111.85 154.25 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.52 72.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -161.42 -70.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.622 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -116.31 141.06 48.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 m -63.91 125.87 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.8 p -156.61 137.01 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 108.251 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.19 135.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.394 1.059 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 57.5 mtp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.497 0.189 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.18 55.97 0.26 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -117.79 155.76 29.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.78 18.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -147.59 160.58 42.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.406 1.066 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.499 ' CD2' HD11 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -137.34 146.49 44.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.8 m -123.24 107.8 12.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.44 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 1.082 HG22 HG22 ' A' ' 10' ' ' VAL . 31.5 t -101.56 117.44 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.575 HG23 ' CB ' ' B' ' 220' ' ' ASP . 0.9 OUTLIER -102.75 144.55 30.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.749 HG12 HG21 ' B' ' 246' ' ' VAL . 2.5 t -140.68 114.73 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.456 HG23 ' CA ' ' B' ' 218' ' ' SER . 52.7 m -128.32 138.13 52.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.614 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 1.5 m-20 -96.94 121.92 39.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -79.42 -15.9 57.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -83.02 -34.99 26.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.063 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -109.16 -8.45 15.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 62.23 16.2 53.1 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.809 HG12 HG13 ' B' ' 246' ' ' VAL . 53.1 t -86.95 125.85 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.468 ' O ' HG23 ' B' ' 219' ' ' VAL . 0.1 OUTLIER -111.25 145.43 38.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.945 ' HB ' HG22 ' B' ' 246' ' ' VAL . 4.6 t -152.88 126.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.575 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.48 146.24 44.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.412 ' CE2' HG21 ' B' ' 245' ' ' THR . 1.6 m-85 -140.98 128.28 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -100.14 115.61 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.4 t -137.71 148.71 45.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.396 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.34 94.84 5.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.518 ' O ' HD12 ' B' ' 229' ' ' LEU . 30.2 p -134.5 111.71 11.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.356 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -87.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 35.5 mmt -74.13 -28.5 61.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.074 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.18 -32.59 36.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 110.402 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.699 ' O ' HG22 ' A' ' 39' ' ' ILE . 18.7 mt -55.65 -35.92 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.546 HD21 HG11 ' A' ' 43' ' ' VAL . 23.4 mt -78.6 -25.1 45.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.229 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 89.0 t -65.07 134.33 95.97 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.728 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.06 -40.55 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.96 -36.07 78.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.074 HG21 HG22 ' B' ' 228' ' ' THR . 39.2 t -82.22 -45.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.87 -45.75 84.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.526 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.23 -48.16 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.4 OUTLIER -66.71 -35.16 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.887 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.0 OUTLIER -66.54 -50.99 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 29' ' ' LEU . 37.7 mm -61.79 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.172 . . . . 0.0 109.293 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.38 -43.75 98.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 11.4 t70 -57.7 -45.23 85.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 1.037 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -61.96 -52.34 64.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.74 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.4 t -61.21 -44.4 98.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -38.74 69.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.233 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.412 HG21 ' CE2' ' B' ' 221' ' ' TYR . 53.9 m -74.41 -38.01 63.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 1.037 HG23 ' O ' ' B' ' 242' ' ' LEU . 33.9 t -61.47 -45.29 98.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -73.62 -27.44 61.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . 0.404 ' O ' ' O ' ' B' ' 251' ' ' THR . 45.0 t -55.0 -38.18 67.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.95 -23.1 59.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.41 -40.96 83.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 1.1 t -126.01 178.08 5.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.439 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . 0.495 ' N ' ' OG1' ' B' ' 251' ' ' THR . 2.1 pt-20 -93.8 50.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' B' ' 254' ' ' GLU . 8.1 t-20 -100.96 140.79 34.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' B' ' 255' ' ' HIS . 8.9 pt-20 38.84 -159.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . 0.423 ' N ' ' HG3' ' B' ' 254' ' ' GLU . 1.2 t-160 -141.49 167.56 21.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 109.636 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -90.24 142.8 27.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' B' ' 259' ' ' GLY . 9.0 p -98.66 125.94 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 29.7 t -67.49 78.16 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' B' ' 257' ' ' VAL . . . 37.74 86.19 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.56 1.163 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . 0.406 ' CB ' ' O ' ' B' ' 259' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtt . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.524 0.202 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.33 76.81 0.14 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 4.4 mptt -101.8 167.51 10.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.86 93.71 4.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 53.2 p -137.63 155.99 48.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' B' ' 212' ' ' ASN . 13.8 m-85 -135.15 139.16 44.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.395 1.059 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.767 HG22 ' OD1' ' A' ' 20' ' ' ASP . 54.3 m -115.96 117.02 28.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.5 128.64 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.474 HG23 ' CG ' ' A' ' 20' ' ' ASP . 2.0 m -119.57 123.76 44.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.95 HG22 HG22 ' B' ' 208' ' ' VAL . 4.2 t -121.69 118.64 56.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.764 HG23 ' O ' ' A' ' 17' ' ' VAL . 80.1 m -122.17 140.88 52.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.381 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.559 ' O ' ' N ' ' A' ' 16' ' ' GLY . 15.1 p30 -100.58 99.16 9.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -57.56 -15.33 6.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -76.4 -35.03 58.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -111.19 -3.93 15.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.9 12.09 34.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 11' ' ' THR . 75.7 t -89.57 143.99 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 48.0 t -120.05 157.91 27.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.765 ' HB ' HG22 ' A' ' 46' ' ' VAL . 37.1 t -154.38 128.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.767 ' OD1' HG22 ' A' ' 7' ' ' THR . 1.2 t0 -120.11 145.41 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.722 ' HE1' HG21 ' A' ' 45' ' ' THR . 3.5 m-85 -140.23 126.97 20.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -90.02 112.24 23.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -138.36 121.86 17.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.425 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -88.83 95.38 10.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.362 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.418 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 4.2 p -133.65 115.44 13.5 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.145 . . . . 0.0 110.45 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.99 -88.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.508 1.794 . . . . 0.0 110.997 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -29.1 61.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.997 HG22 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -50.84 -22.18 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.416 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.711 ' O ' HG22 ' B' ' 239' ' ' ILE . 19.6 mt -61.49 -33.66 74.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 HG11 ' B' ' 243' ' ' VAL . 10.8 mt -82.68 -25.73 32.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.42 1.075 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.67 HG12 ' H ' ' A' ' 34' ' ' VAL . 73.5 t -59.6 133.34 88.84 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.0 -43.41 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.94 -38.0 78.02 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.997 HG21 HG22 ' A' ' 28' ' ' THR . 84.3 t -79.84 -43.59 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.616 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.6 -44.9 92.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.758 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.99 -49.41 77.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -63.24 -34.82 78.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.878 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.3 t -68.8 -46.75 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.686 HG22 ' O ' ' B' ' 229' ' ' LEU . 29.2 mm -67.38 -46.03 84.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -66.55 -43.78 84.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 12.6 t70 -59.57 -46.06 90.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.878 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -66.13 -50.29 64.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.866 HG21 ' HB3' ' B' ' 229' ' ' LEU . 2.0 t -59.31 -45.36 93.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.415 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 1.2 m-80 -55.76 -37.45 68.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.722 HG21 ' HE1' ' A' ' 21' ' ' TYR . 12.7 m -72.73 -44.08 62.14 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 110.423 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.89 HG21 HG12 ' A' ' 10' ' ' VAL . 41.0 t -60.54 -41.73 88.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.345 1.028 . . . . 0.0 109.237 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -72.71 -29.88 63.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.76 -44.71 70.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.936 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -69.72 -30.56 68.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -42.61 -58.79 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -85.74 174.47 9.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.472 ' N ' ' OG1' ' A' ' 51' ' ' THR . 15.7 pt-20 -89.49 -41.64 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -116.96 134.78 54.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 55' ' ' HIS . 1.3 pm0 -117.59 -37.31 3.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.421 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 14.9 m80 50.7 -101.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.378 1.049 . . . . 0.0 109.601 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -99.49 133.76 43.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 57' ' ' VAL . 17.0 m -64.27 119.86 9.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.9 p -129.49 48.71 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 108.335 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 46.06 96.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.539 0.209 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 113.68 56.42 0.41 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -116.6 154.19 30.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 0.731 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.82 108.32 19.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.542 HG22 ' HB2' ' B' ' 224' ' ' GLU . 16.5 p -147.08 164.31 33.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.571 ' CD2' HD11 ' B' ' 229' ' ' LEU . 1.7 m-85 -137.83 146.61 43.69 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 71.4 m -124.83 108.32 11.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 0.95 HG22 HG22 ' A' ' 10' ' ' VAL . 73.1 t -98.12 124.28 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . . . . . . . . . 1.4 m -108.1 148.86 29.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.772 HG12 HG21 ' B' ' 246' ' ' VAL . 1.6 t -138.98 113.13 7.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.589 HG23 ' HB2' ' B' ' 218' ' ' SER . 21.2 m -123.14 130.17 52.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.0 OUTLIER -98.19 99.26 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . 0.457 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -59.22 -14.06 9.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -79.85 -34.44 39.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.022 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -110.51 -4.47 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.239 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.83 12.29 34.59 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.414 1.071 . . . . 0.0 110.963 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.454 ' HB ' ' ND2' ' B' ' 212' ' ' ASN . 71.9 t -90.03 144.8 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.326 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.589 ' HB2' HG23 ' B' ' 211' ' ' THR . 47.6 t -124.41 156.2 37.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.806 ' CG2' HG22 ' B' ' 246' ' ' VAL . 15.3 t -154.61 125.93 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.192 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.44 143.16 45.71 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.808 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.4 m-85 -139.93 128.55 23.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -102.83 114.68 29.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 6.0 t -138.25 142.14 39.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.542 ' HB2' HG22 ' B' ' 205' ' ' THR . 29.2 tt0 -97.63 95.1 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.508 ' O ' HD12 ' B' ' 229' ' ' LEU . 14.4 p -134.87 110.15 10.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.445 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.0 mtm -75.12 -28.23 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.062 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.48 -38.03 51.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.866 ' HB3' HG21 ' A' ' 43' ' ' VAL . 27.7 mt -52.48 -36.99 56.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 28.7 mt -79.36 -24.01 42.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.367 1.042 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 62.9 t -68.63 136.1 90.46 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.758 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.03 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.04 -34.99 74.14 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.062 HG21 HG22 ' B' ' 228' ' ' THR . 93.7 t -82.43 -46.57 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.562 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.65 -43.31 94.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.508 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.23 -48.09 77.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.183 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.3 tt0 -66.47 -35.53 80.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.711 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.33 -48.66 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 29' ' ' LEU . 25.8 mm -64.55 -50.57 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.563 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 5.8 t70 -58.18 -46.12 86.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.734 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -60.43 -49.92 75.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.678 HG21 ' HB3' ' A' ' 29' ' ' LEU . 2.1 t -63.8 -47.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.191 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.6 -36.92 67.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.213 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.808 HG21 ' HE1' ' B' ' 221' ' ' TYR . 1.6 m -74.32 -39.17 63.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 110.36 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.806 HG22 ' CG2' ' B' ' 219' ' ' VAL . 53.7 t -62.02 -43.81 98.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.17 -26.9 61.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 17.8 t -53.37 -36.2 61.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 109.939 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.77 -33.25 66.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -70.83 -47.71 57.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 31.4 p -88.22 163.89 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.376 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.32 54.47 2.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -113.54 173.88 6.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.47 142.22 21.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' B' ' 255' ' ' HIS . 0.3 OUTLIER -170.45 146.19 2.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.598 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -111.62 158.03 19.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 4.3 m -64.41 154.04 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 26.0 m -147.42 132.32 18.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.105 . . . . 0.0 108.294 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 94.47 -162.26 24.47 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.592 1.182 . . . . 0.0 111.038 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.511 0.196 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.404 ' O ' ' HD2' ' A' ' 3' ' ' LYS . . . 108.2 71.55 0.73 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.52 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 1.4 mptt -106.12 169.48 8.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.291 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.443 ' O ' ' CG ' ' A' ' 24' ' ' GLU . . . -106.09 93.79 4.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.7 p -145.13 161.51 39.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.435 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' B' ' 212' ' ' ASN . 1.4 m-85 -137.64 142.77 41.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -113.85 108.24 16.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.435 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.853 HG22 HG22 ' B' ' 210' ' ' VAL . 49.5 t -103.63 112.6 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.664 HG23 ' OD1' ' A' ' 20' ' ' ASP . 94.7 m -107.45 123.65 48.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.893 HG22 ' CG2' ' B' ' 208' ' ' VAL . 4.2 t -120.73 123.04 69.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.475 1.109 . . . . 0.0 109.374 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.536 HG23 ' CA ' ' A' ' 18' ' ' SER . 71.7 m -130.43 145.04 51.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.681 ' ND2' HG11 ' A' ' 46' ' ' VAL . 1.3 m-20 -99.3 122.37 42.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -80.32 -17.11 53.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.468 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.3 OUTLIER -83.86 -35.79 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.97 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -110.91 -3.14 15.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.97 23.26 30.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.843 HG11 HG13 ' A' ' 46' ' ' VAL . 5.4 t -89.91 120.66 39.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.536 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -106.0 141.64 37.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.547 ' HB ' HG23 ' A' ' 46' ' ' VAL . 2.0 t -152.82 124.11 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.664 ' OD1' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -117.71 146.46 43.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.398 1.061 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.79 ' HE1' HG21 ' A' ' 45' ' ' THR . 2.2 m-85 -140.29 128.04 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -93.58 112.75 24.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 t -138.57 127.24 23.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' OE1' ' CA ' ' A' ' 24' ' ' GLU . 4.1 tp10 -89.06 96.78 10.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.469 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.8 p -133.95 112.34 12.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.411 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -86.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -27.5 61.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.007 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.41 -30.62 30.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.869 ' HB3' HG21 ' B' ' 243' ' ' VAL . 21.1 mt -57.65 -36.79 72.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD21 HG11 ' B' ' 243' ' ' VAL . 24.2 mt -78.11 -28.5 48.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 34' ' ' VAL . 90.1 t -59.81 134.28 89.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.518 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -75.0 -44.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -58.95 -40.69 85.45 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.007 HG21 HG22 ' A' ' 28' ' ' THR . 92.4 t -76.76 -44.12 33.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.8 -45.67 92.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.53 -48.73 80.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -61.68 -34.64 76.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.791 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -69.87 -52.47 30.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.735 HG22 ' O ' ' B' ' 229' ' ' LEU . 14.3 mm -60.73 -43.17 94.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.375 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -70.98 -41.24 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 4.9 t70 -57.1 -45.29 83.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -62.53 -53.1 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.878 HG11 HD21 ' B' ' 230' ' ' LEU . 1.3 t -60.24 -44.14 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.49 -37.72 70.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.79 HG21 ' HE1' ' A' ' 21' ' ' TYR . 16.2 m -71.41 -41.19 69.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.431 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.843 HG13 HG11 ' A' ' 17' ' ' VAL . 2.4 t -60.72 -45.83 97.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -73.06 -29.68 63.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -54.03 -37.86 64.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.016 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -74.01 -23.54 59.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -63.89 -62.06 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.465 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -75.54 174.22 9.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.35 1.031 . . . . 0.0 110.431 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' N ' ' OG1' ' A' ' 51' ' ' THR . 0.3 OUTLIER -67.76 -81.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.94 134.15 53.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -94.61 51.49 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.207 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -146.38 -59.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.594 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -104.45 140.72 37.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 p -84.38 153.81 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.71 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -37.69 -52.35 1.92 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 5.7 m95 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.6 mtp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.387 0.136 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -100.3 69.81 0.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.576 1.173 . . . . 0.0 110.948 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.29 154.95 36.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.47 107.66 18.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.55 HG22 ' HB3' ' B' ' 224' ' ' GLU . 8.4 p -147.61 166.13 28.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.384 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.741 ' CG ' HD11 ' B' ' 229' ' ' LEU . 3.1 m-85 -137.18 142.16 42.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.0 m -113.23 107.28 15.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.452 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 0.893 ' CG2' HG22 ' A' ' 10' ' ' VAL . 53.4 t -111.25 114.47 47.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.462 HG23 ' O ' ' B' ' 219' ' ' VAL . 30.1 m -108.49 155.67 20.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.853 HG22 HG22 ' A' ' 8' ' ' VAL . 2.7 t -139.8 115.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 67.8 m -116.17 128.07 55.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.455 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.632 ' ND2' ' H ' ' B' ' 215' ' ' ASN . 5.0 t30 -96.27 107.5 19.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.47 -13.74 61.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.563 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 1.6 t -67.25 -41.3 85.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 110.078 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.764 HD22 HG23 ' B' ' 217' ' ' VAL . 11.5 t30 -118.76 -4.8 10.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 73.07 20.27 79.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.764 HG23 HD22 ' B' ' 215' ' ' ASN . 2.1 t -82.32 146.04 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.583 ' O ' HG23 ' B' ' 219' ' ' VAL . 40.2 t -128.99 152.12 48.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 218' ' ' SER . 2.8 t -156.58 131.99 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.2 142.97 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -140.87 128.11 20.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.09 114.95 29.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 14.6 t -138.37 137.45 37.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.341 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.55 ' HB3' HG22 ' B' ' 205' ' ' THR . 2.7 pt-20 -89.25 94.07 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.563 ' O ' HD12 ' B' ' 229' ' ' LEU . 34.5 p -134.72 108.32 10.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -82.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.438 1.757 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.2 -28.72 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.063 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.25 -37.49 47.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.741 HD11 ' CG ' ' B' ' 206' ' ' TYR . 18.1 mt -52.11 -36.32 50.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.878 HD21 HG11 ' A' ' 43' ' ' VAL . 16.1 mt -81.03 -23.88 38.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 95.1 t -67.71 136.35 92.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.779 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.0 -43.34 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.58 -35.17 73.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.063 HG21 HG22 ' B' ' 228' ' ' THR . 75.4 t -82.31 -46.34 19.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.588 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.03 -43.49 92.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.518 ' CB ' ' HB3' ' A' ' 32' ' ' PRO . . . -55.93 -48.33 75.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 29.3 mt-10 -67.16 -35.81 80.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.944 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.9 t -66.36 -47.46 84.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.724 HG22 ' O ' ' A' ' 29' ' ' LEU . 16.3 mm -65.27 -51.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.41 -42.2 99.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -58.37 -44.69 88.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.944 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -64.9 -52.31 57.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.869 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.4 t -59.32 -43.41 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.47 -36.69 69.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . . . . . . . . . 46.7 m -72.25 -44.77 62.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.773 HG21 HG12 ' B' ' 210' ' ' VAL . 2.9 t -61.13 -41.49 89.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 7.0 mtp-105 -73.26 -26.89 61.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.96 -44.0 70.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.92 -23.01 59.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -68.62 -31.48 70.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 18.7 p -103.69 140.26 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.464 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -48.46 -42.05 31.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -77.01 133.9 38.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.02 120.44 41.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -123.79 82.92 2.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.402 1.064 . . . . 0.0 109.657 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -110.95 149.01 31.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.81 156.09 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.17 -64.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -111.26 -142.8 9.11 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.445 1.091 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtm . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.444 0.164 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' A' ' 3' ' ' LYS . . . -170.4 88.44 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -104.36 170.1 8.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 0.725 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.45 93.51 4.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.499 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 66.6 p -144.75 164.88 29.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.513 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 2.4 m-85 -137.2 142.25 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.1 m -115.81 113.7 23.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 0.0 110.339 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 HG22 ' B' ' 210' ' ' VAL . 54.2 t -105.92 126.06 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.69 HG23 ' OD1' ' A' ' 20' ' ' ASP . 7.2 m -119.86 124.35 45.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.379 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.041 HG22 HG22 ' B' ' 208' ' ' VAL . 12.2 t -123.26 124.32 69.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.405 1.065 . . . . 0.0 109.287 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.735 HG23 ' O ' ' A' ' 17' ' ' VAL . 90.2 m -129.08 141.53 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 16' ' ' GLY . 6.3 p30 -100.21 99.07 9.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.458 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.2 m-80 -57.37 -16.69 9.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.76 -34.9 60.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -110.71 -5.03 15.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.78 13.07 37.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.735 ' O ' HG23 ' A' ' 11' ' ' THR . 76.1 t -90.31 140.84 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -116.67 151.64 35.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.931 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.629 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.8 t -152.32 124.15 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.69 ' OD1' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -122.66 144.96 48.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.771 ' CE1' HG21 ' A' ' 45' ' ' THR . 1.4 m-85 -140.09 127.76 21.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -90.31 113.89 25.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 t -136.56 126.74 26.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.443 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.03 95.98 10.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.491 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 11.3 p -134.16 114.21 12.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -89.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -27.49 61.41 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.072 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.19 -20.88 2.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.659 ' O ' HG22 ' B' ' 239' ' ' ILE . 18.0 mt -63.05 -36.21 82.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mt -80.47 -23.78 39.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.646 HG12 ' H ' ' A' ' 34' ' ' VAL . 79.2 t -61.85 134.74 94.21 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.522 ' HA ' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.01 -43.05 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.557 1.819 . . . . 0.0 110.931 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.19 -42.3 90.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.072 HG21 HG22 ' A' ' 28' ' ' THR . 73.3 t -74.35 -44.6 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.632 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.82 -47.59 82.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.735 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.5 -48.83 79.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.389 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 6.2 mt-10 -61.32 -34.11 74.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG13 HD12 ' A' ' 42' ' ' LEU . 1.1 t -70.35 -52.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.778 HG22 ' O ' ' B' ' 229' ' ' LEU . 28.4 mm -59.56 -43.25 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.198 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -71.19 -40.9 70.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.9 t70 -59.81 -45.33 92.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.773 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -62.08 -49.2 76.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.618 ' CG2' HD13 ' B' ' 229' ' ' LEU . 1.8 t -64.05 -46.31 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.13 -36.1 67.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.614 1.196 . . . . 0.0 109.306 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.771 HG21 ' CE1' ' A' ' 21' ' ' TYR . 98.5 m -72.2 -42.28 65.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 42' ' ' LEU . 83.1 t -60.77 -45.86 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.41 -29.87 62.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -54.63 -32.84 59.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -64.48 -29.42 70.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.559 ' HB3' ' CD2' ' A' ' 55' ' ' HIS . 2.2 m-20 -149.65 107.0 3.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 p -109.63 175.07 5.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -47.89 -40.62 22.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.598 1.187 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' A' ' 54' ' ' GLU . 1.1 m-20 -83.76 173.87 10.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 0.6 OUTLIER 33.29 38.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.559 ' CD2' ' HB3' ' A' ' 50' ' ' ASP . 2.9 t60 -174.97 -168.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.653 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -113.06 155.55 24.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' H ' HG22 ' A' ' 57' ' ' VAL . 2.6 m -65.85 128.99 29.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.9 t -141.05 -52.16 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.517 ' C ' ' CG ' ' A' ' 60' ' ' TRP . . . -168.92 168.45 41.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.517 ' CG ' ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.5 mtm . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.511 0.196 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 132.03 68.93 0.09 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.01 156.18 29.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.34 108.19 19.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.458 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 21.2 p -147.8 160.02 43.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.659 ' CG ' HD11 ' B' ' 229' ' ' LEU . 1.0 OUTLIER -134.22 145.74 49.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 111.05 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.0 m -121.19 108.68 14.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 1.041 HG22 HG22 ' A' ' 10' ' ' VAL . 53.6 t -103.74 126.45 58.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.588 HG23 ' HA ' ' B' ' 220' ' ' ASP . 2.5 m -115.58 150.2 37.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.592 HG23 HD22 ' B' ' 242' ' ' LEU . 1.7 t -140.4 114.48 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.488 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 6.1 m -119.98 131.0 55.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.58 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -96.63 98.56 10.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . 0.499 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -59.64 -14.59 14.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -79.75 -34.93 39.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.414 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.4 t30 -110.72 -1.14 16.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.18 14.19 24.42 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 215' ' ' ASN . 77.1 t -90.02 144.28 9.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.488 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 40.3 t -131.2 150.05 52.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.986 ' CG2' HG22 ' B' ' 246' ' ' VAL . 15.1 t -153.75 130.93 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.588 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -110.87 147.81 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.698 ' CD1' ' CD2' ' B' ' 242' ' ' LEU . 7.1 m-85 -137.49 125.24 22.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -100.45 113.58 26.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -139.52 145.13 38.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.07 95.22 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.532 ' O ' HD12 ' B' ' 229' ' ' LEU . 18.6 p -134.36 110.33 11.53 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -84.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -75.05 -29.18 60.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.076 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.23 -35.06 48.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.778 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.5 mt -52.33 -33.46 42.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.476 HD21 HG11 ' A' ' 43' ' ' VAL . 19.4 mt -83.46 -24.05 31.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.56 HG12 ' H ' ' B' ' 234' ' ' VAL . 90.0 t -65.26 132.78 95.35 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.735 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.06 -41.08 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -59.58 -37.05 77.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.076 HG21 HG22 ' B' ' 228' ' ' THR . 45.6 t -81.69 -47.26 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.549 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -62.8 -45.2 93.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.523 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.28 -46.8 79.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.8 tt0 -67.53 -35.61 79.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.891 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.3 t -65.91 -54.44 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.739 HD11 HD11 ' A' ' 39' ' ' ILE . 19.9 mm -57.62 -51.05 74.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.04 -44.83 94.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.7 t70 -57.93 -44.08 86.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.891 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -58.46 -50.01 75.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.357 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.14 -47.01 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.69 -35.96 66.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.488 HG21 ' CE2' ' B' ' 221' ' ' TYR . 2.2 m -74.14 -42.22 60.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.37 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.986 HG22 ' CG2' ' B' ' 219' ' ' VAL . 75.8 t -60.9 -41.58 89.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -72.82 -29.97 63.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.2 p -53.54 -34.5 58.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.963 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -28.24 69.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.38 -41.84 55.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 8.0 p -86.87 150.89 23.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.45 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -63.04 -37.77 88.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -70.42 167.03 19.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -140.3 166.65 24.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.73 139.23 18.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -117.01 158.57 23.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 13.1 p -66.41 146.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.86 -75.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -92.24 136.59 13.31 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.601 0.238 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.4 ' C ' ' HD2' ' A' ' 3' ' ' LYS . . . -114.11 71.51 0.24 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.453 1.096 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.524 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -104.79 169.11 8.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.69 93.69 4.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 24' ' ' GLU . 64.9 p -140.25 159.82 41.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.493 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.702 ' CD2' HD11 ' A' ' 29' ' ' LEU . 4.2 m-85 -137.15 142.05 42.22 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.8 m -113.14 109.73 19.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.381 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.817 HG22 HG22 ' B' ' 210' ' ' VAL . 47.0 t -107.38 115.26 48.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' CA ' ' A' ' 20' ' ' ASP . 85.6 m -114.91 138.15 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.042 HG22 HG22 ' B' ' 208' ' ' VAL . 18.6 t -127.96 131.11 69.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 17' ' ' VAL . 52.5 m -133.42 142.17 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.493 1.12 . . . . 0.0 110.422 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.624 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 2.5 m-20 -100.73 109.39 21.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -68.45 -13.53 62.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.9 OUTLIER -82.76 -34.76 27.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -110.18 -2.95 16.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 59.61 13.94 26.32 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 11' ' ' THR . 61.6 t -88.17 140.76 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 109.238 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.417 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 41.5 t -120.34 157.52 29.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.97 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.924 ' HB ' HG22 ' A' ' 46' ' ' VAL . 1.2 t -155.35 125.45 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.418 ' CA ' HG23 ' A' ' 9' ' ' THR . 0.0 OUTLIER -118.09 140.65 49.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CE2' HG21 ' A' ' 45' ' ' THR . 1.8 m-85 -140.92 128.09 20.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -96.31 112.4 24.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -137.79 124.26 20.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.361 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HB3' HG22 ' A' ' 5' ' ' THR . 5.2 pm0 -89.19 95.77 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.314 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.49 ' O ' HD12 ' A' ' 29' ' ' LEU . 1.5 p -132.96 113.81 13.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -86.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.53 1.805 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.92 -28.32 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.839 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.95 -37.15 51.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.409 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.73 ' O ' HG22 ' B' ' 239' ' ' ILE . 17.7 mt -51.63 -32.31 28.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 mt -83.42 -25.93 30.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 34' ' ' VAL . 89.6 t -63.24 136.16 96.57 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.51 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.01 -42.08 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.45 -36.42 75.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.839 HG21 HG22 ' A' ' 28' ' ' THR . 41.7 t -82.29 -44.95 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.33 -46.81 84.91 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.729 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.59 -49.65 76.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.1 mt-10 -62.78 -35.32 79.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.943 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.2 t -68.07 -51.35 49.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.583 ' HB ' ' HB1' ' B' ' 235' ' ' ALA . 1.3 mm -61.36 -48.22 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -65.09 -43.86 90.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.608 1.192 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 11.5 t0 -57.77 -44.5 86.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.943 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -63.81 -54.25 38.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.662 ' CG2' HD13 ' B' ' 229' ' ' LEU . 0.9 OUTLIER -58.17 -46.4 88.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.45 -36.66 66.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.527 HG21 ' CE2' ' A' ' 21' ' ' TYR . 78.6 m -73.43 -41.89 62.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.388 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.94 HG23 ' O ' ' A' ' 42' ' ' LEU . 14.8 t -60.82 -43.22 94.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 51' ' ' THR . 4.4 mtt180 -72.73 -27.65 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.0 t -53.79 -39.42 65.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -74.39 -22.6 59.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -77.62 -39.76 44.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 47' ' ' ARG . 19.1 p -94.39 175.37 6.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.349 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -49.0 177.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 110.316 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -58.13 149.44 23.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 1.078 . . . . 0.0 109.364 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -85.2 140.97 30.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.066 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -164.52 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.615 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.57 151.21 36.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -68.27 151.12 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.6 p -161.37 44.7 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.36 -146.24 16.05 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.433 0.159 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 49.28 67.31 1.8 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.66 154.11 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.68 108.4 19.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 20.8 p -148.44 165.72 30.29 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.56 1.163 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.624 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.4 m-85 -136.9 146.69 45.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 93.5 m -124.23 109.27 13.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 1.042 HG22 HG22 ' A' ' 10' ' ' VAL . 55.8 t -103.32 126.62 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 4.2 m -113.39 148.64 35.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.817 HG22 HG22 ' A' ' 8' ' ' VAL . 2.0 t -140.41 114.78 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' B' ' 218' ' ' SER . 55.1 m -119.49 131.75 55.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 0.0 110.379 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.609 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 2.9 m-20 -97.35 98.99 10.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . 0.48 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.89 -12.46 17.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.3 OUTLIER -73.75 -39.43 64.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -113.61 -6.39 13.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 71.88 11.36 73.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.593 1.183 . . . . 0.0 111.076 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.404 HG12 HG13 ' B' ' 246' ' ' VAL . 42.4 t -81.33 142.84 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.463 ' C ' ' CG2' ' B' ' 219' ' ' VAL . 46.7 t -132.43 149.68 52.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.889 ' CG2' HG22 ' B' ' 246' ' ' VAL . 5.8 t -153.85 138.07 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.476 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -116.89 148.4 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.711 ' CE1' HD23 ' B' ' 242' ' ' LEU . 3.6 m-85 -137.39 125.58 23.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -101.77 112.39 24.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 4.8 t -138.15 151.81 48.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 2.0 tm-20 -109.23 93.16 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.515 ' O ' HD12 ' B' ' 229' ' ' LEU . 3.2 p -134.88 108.93 10.75 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.373 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . 0.481 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.1 Cg_endo -75.1 -83.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.75 -30.07 62.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 0.968 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.72 -33.32 34.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.369 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.662 HD13 ' CG2' ' A' ' 43' ' ' VAL . 17.1 mt -55.72 -41.43 73.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.31 -24.53 60.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 59.6 t -66.75 135.0 94.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.729 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.09 -42.39 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.528 1.804 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.29 -34.23 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 0.968 HG21 HG22 ' B' ' 228' ' ' THR . 97.7 t -82.15 -47.03 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.583 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.19 -44.11 89.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.78 -46.75 81.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 19.2 mt-10 -67.08 -35.72 80.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.881 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.8 t -66.38 -54.65 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.73 HG22 ' O ' ' A' ' 29' ' ' LEU . 17.4 mm -57.01 -51.3 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.479 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 3.0 tmtt? -63.24 -44.52 94.98 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 8.3 t70 -57.88 -44.29 86.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.881 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -58.93 -51.8 68.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.521 HG21 HD13 ' A' ' 29' ' ' LEU . 1.6 t -65.84 -44.92 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -56.43 -37.36 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.417 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 2.1 m -73.86 -43.22 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.377 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.889 HG22 ' CG2' ' B' ' 219' ' ' VAL . 95.6 t -60.73 -38.81 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -73.36 -33.51 65.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.248 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . 0.404 ' O ' ' O ' ' B' ' 253' ' ' ASN . 25.7 m -54.25 -31.72 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -62.96 -37.51 87.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -53.03 -54.44 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.7 OUTLIER -77.9 174.65 10.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . 0.458 ' N ' ' OG1' ' B' ' 251' ' ' THR . 38.9 mm-40 -73.54 -25.3 60.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' B' ' 248' ' ' SER . 2.4 t-20 -77.0 133.8 39.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -111.06 -179.99 3.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -157.98 101.55 1.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.57 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -100.05 141.5 32.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.7 p -100.13 155.13 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 28.3 p -146.01 58.02 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.381 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 41.51 30.89 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 23.0 m0 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 mtp . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.524 0.202 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -139.41 104.76 0.44 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.502 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -106.25 168.93 8.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 0.788 . . . . 0.0 109.277 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.62 93.61 4.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.592 HG22 ' HB3' ' A' ' 24' ' ' GLU . 56.0 p -140.5 158.27 44.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.391 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.708 ' CD2' HD11 ' A' ' 29' ' ' LEU . 8.6 m-85 -136.57 139.47 42.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -114.06 113.83 25.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 110.358 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.768 HG22 HG22 ' B' ' 210' ' ' VAL . 55.7 t -104.18 120.82 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 24.8 m -112.78 130.64 56.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.011 HG22 HG22 ' B' ' 208' ' ' VAL . 2.7 t -125.72 119.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.537 HG23 ' CA ' ' A' ' 18' ' ' SER . 59.7 m -124.16 142.04 51.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 110.377 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.648 ' O ' ' N ' ' A' ' 16' ' ' GLY . 4.9 m-20 -99.66 99.01 9.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.459 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.1 m-80 -61.17 -14.31 24.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 1.1 p -82.26 -36.27 27.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.453 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 t30 -111.15 2.13 17.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.252 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.648 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 54.79 17.46 9.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.382 1.051 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG12 HG13 ' A' ' 46' ' ' VAL . 46.5 t -90.43 120.28 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 0.733 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.537 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -102.53 151.83 21.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.025 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.79 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.6 t -153.47 126.36 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.588 1.18 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -121.91 141.1 51.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.641 ' CE2' HG21 ' A' ' 45' ' ' THR . 0.4 OUTLIER -141.3 128.85 21.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.57 113.66 25.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.4 t -136.64 121.36 18.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.592 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.3 OUTLIER -89.43 96.9 10.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.306 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.507 ' O ' HD12 ' A' ' 29' ' ' LEU . 12.6 p -132.42 113.68 14.43 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 0.0 111.029 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.54 -28.8 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.017 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -52.16 -32.21 34.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.434 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.761 ' O ' HG22 ' B' ' 239' ' ' ILE . 15.0 mt -53.24 -31.55 43.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.2 mt -84.71 -29.23 25.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.628 HG12 ' H ' ' A' ' 34' ' ' VAL . 76.9 t -57.77 134.58 83.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -74.96 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.032 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.39 -37.82 78.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.017 HG21 HG22 ' A' ' 28' ' ' THR . 98.8 t -79.34 -44.05 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.622 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.73 -45.23 90.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.734 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -60.61 -49.87 75.78 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.54 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 27.7 mt-10 -62.94 -33.66 75.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.909 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.3 t -70.44 -47.75 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.635 HG22 ' O ' ' B' ' 229' ' ' LEU . 8.5 mm -66.18 -42.43 91.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -70.54 -44.46 67.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.8 t70 -57.07 -45.44 83.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.038 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -63.07 -53.42 53.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.5 t -57.7 -47.78 84.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -56.52 -35.19 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.641 HG21 ' CE2' ' A' ' 21' ' ' TYR . 5.6 m -74.46 -42.79 58.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.389 1.056 . . . . 0.0 110.409 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.038 HG23 ' O ' ' A' ' 42' ' ' LEU . 6.3 t -60.86 -40.18 84.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -73.56 -31.47 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.504 ' O ' HG22 ' A' ' 51' ' ' THR . 2.4 p -53.79 -44.9 70.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.08 -27.81 68.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -90.09 61.42 5.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 48' ' ' SER . 3.1 t -126.33 -179.52 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' N ' ' OG1' ' A' ' 51' ' ' THR . 0.3 OUTLIER -44.63 -61.44 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 51' ' ' THR . 2.4 p-10 -110.41 135.16 51.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -79.22 -176.95 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 70.48 -74.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.634 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 56' ' ' ASP . 5.2 p-10 -105.23 148.41 27.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.5 p -98.5 152.99 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.117 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.14 95.37 4.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 108.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.42 -113.6 4.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 2.7 mtm . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.569 0.224 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -58.89 98.42 0.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.83 157.72 29.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.737 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.15 107.91 19.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 45.1 p -147.94 165.8 29.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.425 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.62 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -135.44 145.84 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.958 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.6 m -116.71 106.73 13.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.433 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 1.011 HG22 HG22 ' A' ' 10' ' ' VAL . 55.6 t -105.24 117.77 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.476 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.7 m -109.32 146.32 34.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.768 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 t -140.02 113.99 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 40.8 m -125.18 132.56 53.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.43 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.6 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -96.48 112.73 24.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . 0.419 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -71.44 -14.49 62.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.411 1.069 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -82.76 -35.97 26.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -110.45 0.64 17.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 53.64 19.48 9.79 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.419 1.075 . . . . 0.0 111.03 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.644 ' CG1' HG13 ' B' ' 246' ' ' VAL . 25.9 t -89.83 120.19 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 109.358 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.489 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.45 138.63 47.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.033 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.82 ' CG2' HG22 ' B' ' 246' ' ' VAL . 17.2 t -149.31 137.57 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.528 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -117.91 149.15 41.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.763 ' CD1' HD23 ' B' ' 242' ' ' LEU . 3.2 m-85 -138.06 126.01 22.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.415 1.072 . . . . 0.0 111.06 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.37 113.32 26.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.8 148.67 44.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -107.25 94.26 5.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 110.327 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.521 ' O ' ' CD1' ' B' ' 229' ' ' LEU . 1.8 p -134.59 111.49 11.52 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 110.459 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -85.18 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 36.5 mmt -73.7 -28.67 61.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 0.852 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.02 -36.45 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.397 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.635 ' O ' HG22 ' A' ' 39' ' ' ILE . 26.6 mt -53.89 -37.67 63.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 36.3 mt -77.28 -26.46 52.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 61.3 t -65.07 134.06 95.89 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.734 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.1 Cg_endo -75.05 -42.95 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.24 -34.95 74.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 0.852 HG21 HG22 ' B' ' 228' ' ' THR . 87.7 t -81.7 -45.54 20.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.594 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -66.18 -42.53 88.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.534 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -57.6 -48.28 79.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 2.5 tt0 -66.51 -35.43 80.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.94 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.5 t -66.11 -55.18 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 29' ' ' LEU . 17.3 mm -57.1 -51.04 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.98 -43.9 97.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.7 t70 -57.35 -44.56 84.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.94 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.4 OUTLIER -59.15 -52.79 64.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.57 HG21 HD13 ' A' ' 29' ' ' LEU . 2.1 t -64.22 -45.2 96.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.95 -38.73 70.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.47 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 1.3 m -74.48 -36.63 63.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.438 1.086 . . . . 0.0 110.409 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.82 HG22 ' CG2' ' B' ' 219' ' ' VAL . 2.5 t -60.96 -45.97 97.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -73.53 -30.66 63.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 9.4 t -54.17 -38.95 66.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -66.29 -25.56 66.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -64.21 -36.26 83.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -104.39 172.04 7.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.363 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . 0.456 ' N ' ' OG1' ' B' ' 251' ' ' THR . 14.0 pt-20 -101.1 24.02 10.0 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.538 1.149 . . . . 0.0 110.224 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -98.7 161.14 13.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.81 159.13 7.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -171.57 -62.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.582 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -77.4 153.43 33.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . 0.723 HG21 ' CD1' ' B' ' 260' ' ' TRP . 1.5 p -99.34 156.65 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' B' ' 259' ' ' GLY . 18.8 p -103.3 -42.87 5.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.355 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . 0.441 ' N ' ' SG ' ' B' ' 258' ' ' CYS . . . -157.14 135.75 4.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . 0.723 ' CD1' HG21 ' B' ' 257' ' ' VAL . 5.1 m0 . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.487 0.184 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.01 78.87 0.24 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 111.056 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.508 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -106.37 167.71 9.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 0.766 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.441 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.19 93.85 4.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.3 p -138.92 155.42 48.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.629 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 7.1 m-85 -133.38 136.78 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.588 HG22 ' OD1' ' A' ' 20' ' ' ASP . 15.6 m -113.75 115.32 27.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.355 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.531 HG22 HG22 ' B' ' 210' ' ' VAL . 54.9 t -100.6 124.38 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.519 HG23 ' CB ' ' A' ' 20' ' ' ASP . 2.0 m -114.37 133.19 55.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.945 HG22 HG22 ' B' ' 208' ' ' VAL . 3.6 t -129.79 122.71 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 17' ' ' VAL . 87.7 m -127.67 142.45 51.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.62 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.9 101.45 12.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.456 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -60.38 -13.37 12.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.237 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.7 OUTLIER -81.48 -35.8 30.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -110.71 -1.38 16.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 58.36 15.35 23.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 11' ' ' THR . 53.5 t -90.32 137.66 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 19' ' ' VAL . 47.4 t -119.06 155.7 31.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.003 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.91 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.6 t -155.9 132.95 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.588 ' OD1' HG22 ' A' ' 7' ' ' THR . 3.4 t0 -124.94 144.76 50.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.48 ' CE1' HG21 ' A' ' 45' ' ' THR . 0.8 OUTLIER -139.92 127.96 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -94.45 113.43 25.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 t -136.55 126.95 26.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -88.52 95.18 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 110.299 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 13.9 p -134.92 116.4 12.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -90.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -27.2 60.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.028 HG22 HG21 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -52.77 -18.64 1.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.369 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' O ' HG22 ' B' ' 239' ' ' ILE . 24.1 mt -65.07 -41.59 94.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.9 -26.89 60.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.255 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 34' ' ' VAL . 89.9 t -57.77 134.94 83.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' HB3' ' CB ' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.97 -43.27 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.377 1.725 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.63 -35.59 72.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.028 HG21 HG22 ' A' ' 28' ' ' THR . 8.4 t -81.91 -45.19 20.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.65 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.44 -46.73 84.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.738 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.66 -48.83 79.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 2.2 tt0 -64.74 -34.88 79.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.856 ' O ' HD12 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -68.8 -47.69 74.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.745 HG22 ' O ' ' B' ' 229' ' ' LEU . 34.2 mm -65.07 -46.27 91.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -67.28 -44.64 78.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t70 -57.87 -45.0 86.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -63.67 -52.67 59.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.647 HG21 ' HB3' ' B' ' 229' ' ' LEU . 1.5 t -57.71 -48.99 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -56.12 -34.36 65.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.48 HG21 ' CE1' ' A' ' 21' ' ' TYR . 1.5 m -71.18 -46.65 60.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 42' ' ' LEU . 3.4 t -60.99 -41.57 89.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 51' ' ' THR . 19.8 mtp180 -73.45 -30.19 63.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -40.51 65.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -73.51 -26.31 60.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -78.24 -41.15 35.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 47' ' ' ARG . 31.1 p -92.44 155.28 17.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -70.18 -44.26 69.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -68.11 170.8 7.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.66 165.31 29.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.188 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.2 m80 63.03 -83.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.63 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -99.01 138.6 35.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -64.35 157.83 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.32 -69.05 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.32 54.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.564 1.165 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.8 mtm . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.508 0.194 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 60.79 51.12 60.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.491 1.12 . . . . 0.0 111.104 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -116.09 153.48 31.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 109.356 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . 0.425 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.24 107.35 18.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.576 HG22 ' HB2' ' B' ' 224' ' ' GLU . 21.7 p -145.95 164.16 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.811 ' CG ' HD11 ' B' ' 229' ' ' LEU . 2.5 m-85 -137.78 143.55 41.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 21.5 m -122.05 108.22 13.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.437 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 0.945 HG22 HG22 ' A' ' 10' ' ' VAL . 78.6 t -99.19 122.7 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.517 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.6 m -107.37 146.37 31.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.596 1.185 . . . . 0.0 110.408 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.83 HG12 HG21 ' B' ' 246' ' ' VAL . 3.5 t -139.88 113.71 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 52.7 m -126.48 134.44 50.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.629 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -97.13 115.17 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -13.51 61.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.441 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER -83.05 -36.05 25.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 109.982 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.414 ' ND2' ' OD1' ' B' ' 250' ' ' ASP . 2.3 t30 -110.33 -1.51 17.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.46 16.83 16.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.74 HG12 HG13 ' B' ' 246' ' ' VAL . 43.0 t -88.09 125.79 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.533 0.784 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.423 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.65 148.07 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.745 ' HB ' HG22 ' B' ' 246' ' ' VAL . 69.2 t -153.11 134.75 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.517 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.7 145.94 49.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.562 ' CE2' HG21 ' B' ' 245' ' ' THR . 1.7 m-85 -140.61 128.16 21.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -103.88 115.46 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 7.5 t -138.52 145.21 40.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.576 ' HB2' HG22 ' B' ' 205' ' ' THR . 1.8 tm-20 -94.58 93.65 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.369 1.043 . . . . 0.0 110.303 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.602 ' O ' HD12 ' B' ' 229' ' ' LEU . 12.1 p -134.5 104.98 10.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -80.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.43 1.753 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -29.36 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.015 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.15 -38.97 55.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.438 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.811 HD11 ' CG ' ' B' ' 206' ' ' TYR . 16.8 mt -51.71 -34.21 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 0.0 109.381 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.584 HD21 HG11 ' A' ' 43' ' ' VAL . 17.4 mt -82.92 -22.72 33.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.462 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 99.6 t -69.43 136.03 88.62 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.738 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.93 -42.6 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.6 -34.76 74.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.015 HG21 HG22 ' B' ' 228' ' ' THR . 80.6 t -82.03 -46.65 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.536 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -65.03 -45.61 84.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.53 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.22 -48.34 74.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.546 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.3 OUTLIER -67.98 -34.98 77.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.89 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.1 t -66.24 -52.83 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.65 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 4.0 mm -60.02 -51.1 76.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.214 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.2 OUTLIER -62.26 -44.99 95.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 13.8 t0 -57.23 -45.53 83.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.932 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.4 OUTLIER -63.35 -52.52 61.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.5 t -60.24 -44.53 95.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.42 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 1.0 OUTLIER -56.52 -36.87 69.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.562 HG21 ' CE2' ' B' ' 221' ' ' TYR . 63.2 m -71.43 -46.06 61.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.932 HG23 ' O ' ' B' ' 242' ' ' LEU . 3.8 t -60.86 -37.07 75.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -34.2 64.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 4.3 m -53.73 -46.07 70.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.45 -24.97 59.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . 0.414 ' OD1' ' ND2' ' B' ' 215' ' ' ASN . 43.2 t0 -47.76 -37.1 12.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -103.29 171.52 7.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.518 1.136 . . . . 0.0 110.396 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' B' ' 251' ' ' THR . 0.0 OUTLIER -72.73 -8.65 56.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -93.14 134.44 35.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.6 54.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -77.89 136.95 38.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -116.27 156.92 25.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.47 147.27 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.077 . . . . 0.0 109.287 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -89.46 158.44 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 108.258 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -37.71 -77.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 28.8 m95 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.458 0.17 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.413 ' C ' ' HD3' ' A' ' 3' ' ' LYS . . . -178.35 -52.04 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 2' ' ' GLY . 14.4 mmtt -104.76 169.75 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.206 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.434 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -105.12 93.37 4.66 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.684 HG22 ' CG ' ' A' ' 24' ' ' GLU . 70.6 p -136.16 165.05 26.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.184 . . . . 0.0 110.337 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.599 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 1.2 m-85 -137.1 144.28 43.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 m -119.45 108.67 14.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 110.407 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.471 HG12 HD21 ' A' ' 42' ' ' LEU . 74.5 t -100.68 128.73 52.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' VAL . 17.0 m -124.1 129.16 50.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.026 HG22 HG22 ' B' ' 208' ' ' VAL . 2.9 t -124.27 126.74 72.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.509 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 99.9 m -129.9 137.45 50.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.591 ' O ' ' N ' ' A' ' 16' ' ' GLY . 5.0 p30 -100.37 98.96 9.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.098 . . . . 0.0 109.35 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.463 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -56.81 -16.1 5.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -76.7 -34.98 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -111.29 -4.33 14.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.6 1.188 . . . . 0.0 109.293 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.44 14.56 35.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 41.2 t -90.58 127.68 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.509 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 1.0 OUTLIER -114.63 147.98 38.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 110.066 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.902 ' CG2' HG22 ' A' ' 46' ' ' VAL . 34.4 t -147.49 154.85 10.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.507 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -134.76 147.55 50.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.742 ' CE1' HD23 ' A' ' 42' ' ' LEU . 2.9 m-85 -138.63 126.37 22.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -105.4 111.97 24.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.262 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.9 t -138.27 139.87 39.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.684 ' CG ' HG22 ' A' ' 5' ' ' THR . 28.5 mt-10 -90.74 94.12 9.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.9 p -133.6 110.74 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -86.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.457 1.767 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -27.77 61.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.973 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.38 -24.26 4.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.403 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.727 ' HB3' HG21 ' B' ' 243' ' ' VAL . 27.2 mt -61.95 -37.3 84.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.4 mt -81.45 -23.44 37.47 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.663 HG12 ' H ' ' A' ' 34' ' ' VAL . 74.6 t -62.12 133.66 94.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.3 Cg_endo -75.06 -44.12 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.518 1.799 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.11 -35.26 73.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.973 HG21 HG22 ' A' ' 28' ' ' THR . 78.4 t -80.15 -44.51 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.709 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.84 -41.86 95.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.73 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -61.81 -49.44 76.3 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.4 mt-10 -64.31 -34.44 78.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.884 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.4 t -69.87 -53.51 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.657 HG22 ' O ' ' B' ' 229' ' ' LEU . 14.9 mm -57.34 -47.63 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -66.83 -44.94 79.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.9 t70 -57.53 -44.91 85.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.884 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -59.35 -51.35 70.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.577 HG21 HD13 ' B' ' 229' ' ' LEU . 2.1 t -64.76 -48.56 84.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.1 m-80 -57.31 -36.73 71.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.55 HG21 ' CE2' ' A' ' 21' ' ' TYR . 3.5 m -73.75 -44.62 55.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.902 HG22 ' CG2' ' A' ' 19' ' ' VAL . 59.3 t -60.23 -40.62 84.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.368 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' O ' HG23 ' A' ' 51' ' ' THR . 20.4 mtp180 -73.94 -31.92 63.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.411 ' HB2' ' CB ' ' A' ' 54' ' ' GLU . 12.7 p -54.92 -39.13 68.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.974 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.41 -27.81 66.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.77 -31.13 46.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 47' ' ' ARG . 27.2 p -86.31 140.68 29.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -54.46 -58.89 5.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 110.28 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -111.06 134.21 52.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.158 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 4.4 pt-20 -107.2 65.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -159.79 -62.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.651 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -88.26 141.44 28.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.4 p -95.0 142.8 12.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.2 p -126.05 -46.47 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 108.336 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.99 -156.57 9.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 47.2 m95 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 1.7 mtm . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.537 0.208 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 77.28 55.62 4.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -118.2 156.46 28.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -103.35 107.59 18.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.18 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 16.9 p -147.9 161.43 41.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.549 ' CG ' HD11 ' B' ' 229' ' ' LEU . 0.8 OUTLIER -136.32 148.38 47.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 111.0 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 6.7 m -127.5 109.13 11.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.393 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 10' ' ' VAL . 54.1 t -102.82 126.29 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.422 HG23 ' CB ' ' B' ' 220' ' ' ASP . 2.0 m -112.56 147.59 36.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.984 HG12 HG21 ' B' ' 246' ' ' VAL . 5.7 t -139.81 115.17 7.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.095 . . . . 0.0 109.354 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.5 ' OG1' ' CB ' ' B' ' 218' ' ' SER . 5.6 m -124.97 131.09 53.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.599 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.55 98.9 10.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . 0.444 ' HB2' ' OG1' ' A' ' 5' ' ' THR . 1.0 OUTLIER -58.91 -15.42 12.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.434 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -78.73 -34.93 45.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.96 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -109.72 -3.45 16.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 61.5 12.98 35.55 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.456 HG12 HG13 ' B' ' 246' ' ' VAL . 70.9 t -89.73 144.52 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.44 0.729 . . . . 0.0 109.257 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.5 ' CB ' ' OG1' ' B' ' 211' ' ' THR . 41.3 t -127.68 154.84 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.943 ' HB ' HG22 ' B' ' 246' ' ' VAL . 51.3 t -155.23 127.93 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.422 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.39 143.56 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.702 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.7 m-85 -140.2 127.93 21.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -101.68 114.34 28.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 110.222 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . 0.438 ' N ' ' O ' ' B' ' 206' ' ' TYR . 13.8 t -138.32 149.66 45.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.072 . . . . 0.0 110.366 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.46 94.7 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.63 ' O ' HD12 ' B' ' 229' ' ' LEU . 12.0 p -133.52 106.59 11.97 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.96 -82.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.548 1.815 . . . . 0.0 111.077 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 2.1 mtm -74.23 -29.97 61.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.022 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -53.77 -39.1 65.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.657 ' O ' HG22 ' A' ' 39' ' ' ILE . 15.9 mt -51.57 -34.88 38.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . . . . . . . . . 39.6 mt -79.38 -25.91 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 88.3 t -65.1 135.96 96.49 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.73 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.97 -42.2 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.47 -35.06 74.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.022 HG21 HG22 ' B' ' 228' ' ' THR . 70.6 t -82.1 -46.55 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.586 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.2 -43.74 94.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -56.89 -48.2 78.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 1.2 mm-40 -70.55 -34.98 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.943 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.7 t -68.87 -36.99 76.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.709 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 2.9 mm -77.52 -45.65 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.1 OUTLIER -67.26 -43.88 80.74 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.562 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 30.4 t0 -57.69 -44.98 86.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.601 1.188 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.984 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.2 OUTLIER -63.38 -48.65 76.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.727 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -62.85 -47.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 0.5 OUTLIER -56.31 -32.72 64.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.702 HG21 ' HE1' ' B' ' 221' ' ' TYR . 50.0 m -73.74 -43.3 59.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.38 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.984 HG21 HG12 ' B' ' 210' ' ' VAL . 4.5 t -62.96 -47.27 93.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . 0.443 ' O ' HG23 ' B' ' 251' ' ' THR . 0.0 OUTLIER -74.05 -25.67 59.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 1.1 m -55.39 -38.25 68.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.76 -31.24 61.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.83 -19.31 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.403 1.064 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.443 HG23 ' O ' ' B' ' 247' ' ' ARG . 32.4 p -107.65 148.65 29.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.411 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -40.96 -47.9 3.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -97.61 133.82 41.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -107.05 52.72 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.63 146.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.591 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -111.7 140.09 46.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 3.5 m -64.3 153.1 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 3.8 p -158.91 -49.1 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 108.385 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 170.47 -96.87 0.12 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.436 1.085 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 28.9 m95 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.7 mtp . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.541 0.21 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.406 ' C ' ' HD2' ' A' ' 3' ' ' LYS . . . -136.31 98.11 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 2' ' ' GLY . 3.8 mptp? -106.7 166.6 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 0.754 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.4 93.4 4.58 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 p -140.3 165.87 26.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.542 ' CG ' HD11 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -138.07 143.57 40.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 52.5 m -121.9 107.55 12.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.731 HG22 HG22 ' B' ' 210' ' ' VAL . 40.9 t -95.17 113.28 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.859 HG23 ' CG ' ' A' ' 20' ' ' ASP . 1.3 m -101.12 122.68 44.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.843 HG22 HG22 ' B' ' 208' ' ' VAL . 16.8 t -123.06 119.9 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.555 HG23 ' CA ' ' A' ' 18' ' ' SER . 79.0 m -129.17 144.43 51.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.426 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.657 HD21 HG11 ' A' ' 46' ' ' VAL . 1.4 m-20 -98.84 120.28 39.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.219 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 1.0 OUTLIER -80.82 -15.72 55.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.252 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.54 -35.49 24.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -110.82 -10.56 14.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.589 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 65.09 22.65 69.06 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.471 1.107 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.868 HG11 HG13 ' A' ' 46' ' ' VAL . 11.7 t -90.16 121.56 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 0.725 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.555 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -106.84 140.29 39.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG12 HD23 ' A' ' 42' ' ' LEU . 2.6 t -153.64 126.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.859 ' CG ' HG23 ' A' ' 9' ' ' THR . 6.2 t0 -120.56 148.37 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.813 ' HE1' HG21 ' A' ' 45' ' ' THR . 2.3 m-85 -137.94 127.6 25.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -88.9 114.01 25.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 t -136.6 120.32 17.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.441 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -88.62 94.81 10.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' A' ' 28' ' ' THR . 0.8 OUTLIER -134.34 117.98 13.64 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.426 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -90.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.801 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.12 -27.34 60.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.045 HG22 HG21 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -52.44 -29.35 24.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.422 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.651 ' HB3' HG21 ' B' ' 243' ' ' VAL . 16.1 mt -52.73 -32.32 42.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.613 1.196 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.1 mt -79.93 -31.65 40.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 34' ' ' VAL . 97.2 t -55.25 133.8 69.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.303 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.4 Cg_endo -74.95 -41.72 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.8 -35.64 73.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.045 HG21 HG22 ' A' ' 28' ' ' THR . 19.8 t -82.11 -45.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.672 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -63.18 -48.11 79.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.765 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.43 -48.12 81.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -61.36 -34.06 74.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.636 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.9 t -71.06 -52.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.612 1.195 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.734 HG22 ' O ' ' B' ' 229' ' ' LEU . 17.2 mm -60.4 -42.05 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -72.58 -41.4 65.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 8.1 t0 -57.77 -45.09 86.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.806 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -62.46 -51.76 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.653 HG11 HD21 ' B' ' 230' ' ' LEU . 1.5 t -61.35 -46.7 96.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -55.44 -37.08 67.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.813 HG21 ' HE1' ' A' ' 21' ' ' TYR . 3.5 m -73.75 -38.61 64.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.868 HG13 HG11 ' A' ' 17' ' ' VAL . 8.5 t -61.23 -46.0 97.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -72.61 -28.1 62.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t -53.35 -36.01 60.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.023 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -71.28 -32.91 69.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -43.65 -49.73 7.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.676 HG21 ' CD1' ' A' ' 60' ' ' TRP . 0.2 OUTLIER -90.2 173.74 7.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' N ' ' OG1' ' A' ' 51' ' ' THR . 1.5 pt-20 -54.61 146.77 15.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -62.1 134.02 56.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -123.42 179.24 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -74.97 -82.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.619 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -98.46 149.88 22.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 p -74.89 121.29 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -175.42 115.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 108.326 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 126.61 -60.29 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.676 ' CD1' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 62.1 mtp . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.562 0.22 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 45.08 64.88 2.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -120.01 151.92 38.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 0.804 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . 0.417 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -103.17 107.37 18.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.495 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 43.7 p -148.88 164.53 34.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.592 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 1.7 m-85 -136.35 143.1 43.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.1 m -113.39 107.83 16.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 10' ' ' VAL . 74.3 t -104.92 116.4 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.466 HG23 ' HA ' ' B' ' 220' ' ' ASP . 1.6 m -108.18 148.86 29.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.408 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 8' ' ' VAL . 2.4 t -140.24 114.05 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.425 1.078 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.45 HG23 ' CA ' ' B' ' 218' ' ' SER . 96.5 m -123.89 132.26 53.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.652 ' ND2' HG11 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -98.92 100.4 11.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -57.64 -15.71 8.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 18.3 p -70.06 -38.42 75.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.522 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.5 t30 -113.94 -6.46 13.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 67.9 10.56 58.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.409 HG12 HG13 ' B' ' 246' ' ' VAL . 21.0 t -82.71 125.7 39.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.776 . . . . 0.0 109.274 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.45 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.3 OUTLIER -110.87 139.69 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.662 ' CG2' HG22 ' B' ' 246' ' ' VAL . 54.5 t -137.32 131.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.466 ' HA ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.96 144.65 46.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.798 ' HE1' HG21 ' B' ' 245' ' ' THR . 1.6 m-85 -141.63 128.38 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -97.5 114.51 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.132 . . . . 0.0 110.232 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.94 144.6 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.84 95.22 5.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 110.292 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.474 ' O ' HD12 ' B' ' 229' ' ' LEU . 15.8 p -134.29 110.83 11.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.412 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -85.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.485 1.781 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 1.9 mtm -75.6 -28.45 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.008 HG22 HG21 ' B' ' 234' ' ' VAL . 0.1 OUTLIER -51.89 -34.21 40.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.401 1.063 . . . . 0.0 110.427 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.734 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.7 mt -51.92 -32.86 34.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.653 HD21 HG11 ' A' ' 43' ' ' VAL . 20.1 mt -81.91 -26.07 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.528 ' CG1' HG23 ' B' ' 234' ' ' VAL . 99.6 t -64.73 133.77 95.83 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.765 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.89 -42.79 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.433 1.754 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -59.51 -34.99 73.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.008 HG21 HG22 ' B' ' 228' ' ' THR . 38.8 t -83.12 -46.48 18.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.387 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.568 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.43 -44.04 92.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 32' ' ' PRO . . . -57.18 -48.43 78.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 3.1 tt0 -65.33 -36.37 83.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.562 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.3 t -66.92 -48.11 80.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.672 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -65.63 -48.48 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 0.0 109.271 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.19 -42.86 96.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.528 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 4.4 t70 -58.8 -45.18 90.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 1.021 ' O ' HG23 ' B' ' 246' ' ' VAL . 0.3 OUTLIER -61.48 -47.59 84.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.651 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.8 t -65.79 -46.83 87.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.375 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.411 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.91 -36.76 68.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.798 HG21 ' HE1' ' B' ' 221' ' ' TYR . 1.9 m -74.84 -39.21 61.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 1.021 HG23 ' O ' ' B' ' 242' ' ' LEU . 72.1 t -61.68 -42.19 93.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . 0.521 ' O ' HG23 ' B' ' 251' ' ' THR . 43.5 mtt180 -72.25 -33.35 67.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 3.5 m -55.99 -37.35 68.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -32.72 72.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -72.14 -27.2 62.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.521 HG23 ' O ' ' B' ' 247' ' ' ARG . 73.3 p -93.96 165.46 12.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 110.398 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -55.35 -62.59 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.22 136.3 57.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.61 1.194 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.24 147.0 26.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 12.0 m170 61.08 154.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -116.49 152.29 34.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 9.8 p -76.05 129.56 36.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.238 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.8 170.85 9.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 108.338 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . -55.84 154.52 13.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.107 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 6.2 m95 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtm . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.45 0.167 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 3' ' ' LYS . . . -89.31 80.42 1.53 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 110.961 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' B' ' 214' ' ' SER . 30.3 mmtt -102.05 170.36 8.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.23 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' HA ' ' CB ' ' B' ' 214' ' ' SER . . . -106.06 93.6 4.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' B' ' 213' ' ' ASN . 67.0 p -135.52 162.29 33.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.62 ' CG ' HD11 ' A' ' 29' ' ' LEU . 1.2 m-85 -137.46 142.72 41.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.1 m -116.48 108.61 16.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.369 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.55 HG22 HG22 ' B' ' 210' ' ' VAL . 61.9 t -102.99 120.73 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.397 1.061 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 6.8 m -116.52 131.96 56.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.033 HG22 HG22 ' B' ' 208' ' ' VAL . 2.6 t -126.72 121.74 59.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.216 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.508 ' CG2' ' HB3' ' A' ' 18' ' ' SER . 54.4 m -125.63 140.28 52.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.615 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -100.4 111.51 23.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.9 OUTLIER -72.11 -14.23 61.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 p -82.38 -35.0 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -110.43 -5.79 15.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 61.73 19.5 58.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.58 HG12 HG13 ' A' ' 46' ' ' VAL . 40.4 t -90.93 124.18 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.508 ' HB3' ' CG2' ' A' ' 11' ' ' THR . 0.1 OUTLIER -114.24 144.17 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.059 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.904 ' CG2' HG22 ' A' ' 46' ' ' VAL . 21.9 t -150.88 150.75 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.53 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -130.02 148.67 51.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.726 ' CE1' HD23 ' A' ' 42' ' ' LEU . 2.6 m-85 -138.41 125.84 21.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.5 110.74 22.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 t -138.72 129.02 25.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.83 96.14 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.524 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 12.1 p -133.92 116.9 13.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -87.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.563 1.823 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.3 mtm -74.4 -28.87 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.963 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -50.99 -25.35 4.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.686 ' HB3' HG21 ' B' ' 243' ' ' VAL . 31.3 mt -64.62 -38.29 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.8 mt -79.37 -22.58 44.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.366 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.579 HG12 ' H ' ' A' ' 34' ' ' VAL . 88.9 t -63.4 136.07 96.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.2 Cg_endo -74.95 -44.12 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.408 1.741 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -59.8 -35.25 74.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.963 HG21 HG22 ' A' ' 28' ' ' THR . 77.1 t -80.7 -45.17 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.336 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -64.22 -45.77 86.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.705 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -59.32 -48.87 79.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 1.9 mt-10 -63.73 -35.05 79.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.912 ' O ' HD12 ' A' ' 42' ' ' LEU . 2.1 t -69.25 -53.79 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.711 HG22 ' O ' ' B' ' 229' ' ' LEU . 11.9 mm -57.31 -46.8 85.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.26 -42.63 79.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 7.3 t70 -58.31 -45.03 88.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.912 HD12 ' O ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -59.76 -52.54 65.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.418 HG21 HD13 ' B' ' 229' ' ' LEU . 1.9 t -63.54 -47.77 89.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' ND2' ' HG2' ' A' ' 40' ' ' LYS . 1.3 m-80 -56.15 -39.29 72.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.415 ' HB ' ' OH ' ' A' ' 21' ' ' TYR . 23.2 m -75.42 -42.88 52.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.904 HG22 ' CG2' ' A' ' 19' ' ' VAL . 15.7 t -59.97 -39.65 80.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -73.66 -33.32 64.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' THR . 1.5 t -63.28 -31.45 72.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -67.17 -31.33 71.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -85.42 -54.97 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -122.17 170.97 9.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 110.385 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' N ' ' OG1' ' A' ' 51' ' ' THR . 3.8 tt0 41.97 71.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -100.01 151.06 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.247 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -111.99 33.9 4.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.582 1.176 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -153.67 -75.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -115.57 155.6 27.3 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.45 131.43 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -54.61 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.26 -144.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.461 1.101 . . . . 0.0 110.943 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 55.9 m95 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.556 0.217 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 73.29 52.77 8.3 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.9 152.96 39.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . . . . . . . . . . . -102.63 107.51 18.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 31.5 p -148.86 159.65 43.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.395 1.059 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.479 ' CG ' HD11 ' B' ' 229' ' ' LEU . 5.9 m-85 -135.8 141.43 44.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.632 1.207 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 4.0 m -116.69 108.22 15.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 1.033 HG22 HG22 ' A' ' 10' ' ' VAL . 75.4 t -101.11 120.69 50.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.488 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.3 m -105.21 144.9 31.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.447 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.988 HG12 HG21 ' B' ' 246' ' ' VAL . 5.8 t -140.27 115.54 7.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.419 HG23 ' CA ' ' B' ' 218' ' ' SER . 55.4 m -127.55 134.56 49.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.618 ' OD1' ' CE2' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -96.83 99.68 11.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . 0.451 ' CB ' ' OG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -61.61 -13.33 21.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -80.97 -35.62 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.453 ' ND2' ' OD1' ' B' ' 250' ' ' ASP . 2.9 t30 -111.07 -0.63 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 59.03 16.75 34.05 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.684 HG12 HG13 ' B' ' 246' ' ' VAL . 55.9 t -90.77 124.92 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 0.783 . . . . 0.0 109.319 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.419 ' CA ' HG23 ' B' ' 211' ' ' THR . 0.1 OUTLIER -111.27 149.06 31.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.941 ' HB ' HG22 ' B' ' 246' ' ' VAL . 67.9 t -153.63 135.0 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.245 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.488 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -124.74 145.66 49.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.423 ' CE2' HG21 ' B' ' 245' ' ' THR . 4.2 m-85 -141.23 128.26 20.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -102.75 114.52 28.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.9 t -138.98 151.42 46.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 110.444 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.86 94.99 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.592 ' O ' HD12 ' B' ' 229' ' ' LEU . 20.8 p -133.73 106.27 11.76 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -81.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.496 1.787 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . 0.436 ' O ' HG23 ' B' ' 231' ' ' VAL . 2.3 mtm -73.84 -30.22 62.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 0.998 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.74 -40.09 62.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.711 ' O ' HG22 ' A' ' 39' ' ' ILE . 19.0 mt -52.45 -36.28 54.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.412 HD21 HG11 ' A' ' 43' ' ' VAL . 22.4 mt -80.94 -24.08 38.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.482 HG12 ' H ' ' B' ' 234' ' ' VAL . 96.4 t -68.54 136.08 90.64 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.403 1.065 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.705 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.96 -42.26 0.54 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -60.58 -35.07 75.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 0.998 HG21 HG22 ' B' ' 228' ' ' THR . 69.1 t -82.73 -46.65 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.585 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -63.94 -45.86 87.31 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.72 -48.55 74.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.233 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.545 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.9 OUTLIER -67.64 -35.27 78.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.901 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.1 t -66.15 -52.38 48.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.664 ' HB ' ' HB1' ' A' ' 35' ' ' ALA . 23.4 mm -59.93 -50.69 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -63.54 -43.29 97.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.3 t70 -57.4 -44.65 84.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.901 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -65.72 -54.29 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 29' ' ' LEU . 1.7 t -57.16 -43.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' B' ' 240' ' ' LYS . 1.0 OUTLIER -55.51 -38.24 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.423 HG21 ' CE2' ' B' ' 221' ' ' TYR . 19.2 m -71.99 -44.92 62.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 110.401 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.988 HG21 HG12 ' B' ' 210' ' ' VAL . 3.5 t -61.71 -39.11 82.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -73.44 -28.96 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 10.4 t -57.07 -38.12 72.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.053 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.11 -32.22 63.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 111.065 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . 0.453 ' OD1' ' ND2' ' B' ' 215' ' ' ASN . 28.2 t70 -44.21 -37.17 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' B' ' 252' ' ' GLU . 0.0 OUTLIER -100.27 172.55 7.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.609 1.193 . . . . 0.0 110.384 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . 0.451 ' N ' ' OG1' ' B' ' 251' ' ' THR . 2.9 mt-10 -67.35 -26.3 66.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.06 134.51 45.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.244 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -111.6 51.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.351 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -169.46 132.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.157 . . . . 0.0 109.557 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -115.02 136.74 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.95 126.63 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.16 -62.59 0.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.167 . . . . 0.0 108.253 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 150.38 161.4 9.89 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 49.8 p-90 . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtm . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.449 0.166 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -146.59 80.35 0.22 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.594 1.184 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 214' ' ' SER . 4.4 mmtm -105.51 169.95 8.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.756 . . . . 0.0 109.342 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.0 93.75 4.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.9 p -136.18 166.84 22.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' CZ ' ' HB3' ' B' ' 212' ' ' ASN . 2.9 m-85 -138.14 141.3 40.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -112.99 108.6 17.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.691 HG22 HG22 ' B' ' 210' ' ' VAL . 24.1 t -105.14 118.58 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 28.5 m -116.34 123.0 46.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.899 HG22 HG22 ' B' ' 208' ' ' VAL . 3.0 t -119.98 120.38 62.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.549 HG23 ' CA ' ' A' ' 18' ' ' SER . 89.9 m -127.88 143.48 51.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.142 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.603 ' OD1' ' CE2' ' B' ' 206' ' ' TYR . 6.2 m-20 -98.73 122.46 41.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.224 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.58 -15.57 54.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.403 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.2 OUTLIER -82.35 -35.9 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.01 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -111.38 -9.55 14.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 63.71 22.04 65.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.59 HG12 HG13 ' A' ' 46' ' ' VAL . 41.8 t -90.17 123.0 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.422 0.719 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.549 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -105.13 145.97 29.83 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.858 ' HB ' HG22 ' A' ' 46' ' ' VAL . 2.3 t -152.94 123.93 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -120.88 144.34 48.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.8 127.72 20.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -88.98 113.63 24.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.8 t -137.16 121.82 18.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.453 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -88.91 95.91 10.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 35.0 p -134.17 115.49 12.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -27.66 60.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.057 HG22 HG21 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -52.27 -21.47 3.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.612 ' O ' HG22 ' B' ' 239' ' ' ILE . 22.4 mt -62.83 -40.12 96.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.717 HD21 HG11 ' B' ' 243' ' ' VAL . 11.4 mt -74.57 -25.59 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG12 ' H ' ' A' ' 34' ' ' VAL . 98.2 t -61.52 134.26 93.56 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' HA ' ' HB2' ' B' ' 236' ' ' ALA . 18.6 Cg_endo -75.05 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.063 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -58.78 -37.54 76.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.057 HG21 HG22 ' A' ' 28' ' ' THR . 17.0 t -81.13 -45.82 20.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.595 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -61.83 -48.31 81.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.719 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -57.8 -48.88 78.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 11.9 tm-20 -62.18 -35.33 78.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 t -69.14 -53.64 24.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.698 HG22 ' O ' ' B' ' 229' ' ' LEU . 20.2 mm -57.47 -50.63 76.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -63.83 -38.56 91.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.4 t0 -61.6 -44.49 96.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -63.17 -50.28 70.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.582 ' CG2' HD13 ' B' ' 229' ' ' LEU . 2.0 t -63.17 -44.96 99.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -55.19 -39.38 69.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.7 m -74.77 -36.71 62.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 110.453 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 42' ' ' LEU . 92.6 t -61.99 -44.29 98.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -73.41 -30.26 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 m -54.29 -37.96 65.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.982 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -70.97 -25.65 62.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.58 -32.7 66.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.179 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 p -93.03 148.17 22.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -60.66 -29.3 69.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -115.08 134.09 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' O ' ' CB ' ' A' ' 55' ' ' HIS . 1.6 pt-20 -101.13 158.24 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 54' ' ' GLU . 0.3 OUTLIER 86.17 -72.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.592 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -83.29 152.57 25.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 57' ' ' VAL . 9.6 p -94.07 120.43 43.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 25.4 p 179.58 150.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.261 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.28 -97.69 2.09 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.411 1.069 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 33.1 m95 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 6.7 mtm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.486 0.184 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . -124.42 57.62 0.67 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.483 1.114 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -120.67 155.15 34.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . 0.403 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.61 107.83 18.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.475 ' OG1' ' CB ' ' A' ' 13' ' ' ASN . 12.6 p -147.54 162.84 38.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.478 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.603 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 4.5 m-85 -135.47 141.34 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 5.9 m -112.61 108.85 18.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.421 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 0.899 HG22 HG22 ' A' ' 10' ' ' VAL . 34.2 t -108.57 113.57 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.477 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.1 m -102.58 147.77 26.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.691 HG22 HG22 ' A' ' 8' ' ' VAL . 2.3 t -140.07 114.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.433 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 59.8 m -129.78 130.76 45.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 110.412 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.589 ' H ' ' ND2' ' B' ' 212' ' ' ASN . 0.2 OUTLIER -98.87 100.15 11.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.71 -17.11 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -68.3 -37.8 81.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 109.961 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.497 ' CB ' ' OD1' ' B' ' 212' ' ' ASN . 2.7 t30 -112.88 -8.12 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 69.35 12.65 66.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.406 ' HB ' ' OD1' ' B' ' 212' ' ' ASN . 25.1 t -86.54 125.47 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 109.229 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.433 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -110.4 150.12 29.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' B' ' 246' ' ' VAL . 37.3 t -152.63 129.86 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.393 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.477 ' CB ' HG23 ' B' ' 209' ' ' THR . 0.0 OUTLIER -118.69 144.05 46.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.75 ' HE1' HG21 ' B' ' 245' ' ' THR . 2.0 m-85 -139.87 128.02 22.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -103.43 114.68 29.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 2.7 t -138.93 151.93 47.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' B' ' 224' ' ' GLU . 1.6 tm-20 -106.94 94.38 5.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.6 ' O ' HD12 ' B' ' 229' ' ' LEU . 46.3 p -135.28 106.11 10.21 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.1 . . . . 0.0 110.386 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . 0.472 ' HB2' ' CE ' ' B' ' 227' ' ' MET . 18.6 Cg_endo -74.97 -82.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.551 1.816 . . . . 0.0 111.041 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . 0.472 ' CE ' ' HB2' ' B' ' 226' ' ' PRO . 0.0 OUTLIER -73.46 -30.57 63.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.112 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -51.86 -37.68 53.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 0.0 110.398 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.698 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.6 mt -52.22 -36.33 51.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 43' ' ' VAL . 26.9 mt -79.94 -22.14 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' B' ' 228' ' ' THR . 72.3 t -70.6 136.67 85.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.719 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.94 -42.68 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.1 -34.99 74.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.112 HG21 HG22 ' B' ' 228' ' ' THR . 59.0 t -82.66 -46.39 19.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.565 ' HB1' ' HB ' ' A' ' 39' ' ' ILE . . . -64.55 -45.77 85.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . -55.68 -47.7 76.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 0.8 OUTLIER -66.41 -35.28 79.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.637 ' O ' HD12 ' B' ' 242' ' ' LEU . 1.4 t -66.41 -52.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 29' ' ' LEU . 7.0 mm -60.19 -49.29 84.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -64.98 -41.01 95.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 0.8 OUTLIER -58.43 -45.45 88.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.637 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.3 OUTLIER -62.58 -50.34 71.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . 0.717 HG11 HD21 ' A' ' 30' ' ' LEU . 1.5 t -62.35 -44.51 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.427 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.8 OUTLIER -55.78 -37.72 68.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.75 HG21 ' HE1' ' B' ' 221' ' ' TYR . 23.9 m -73.08 -39.38 65.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.462 HG11 ' ND2' ' B' ' 212' ' ' ASN . 2.5 t -61.33 -44.57 98.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.394 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . 0.438 ' O ' HG22 ' B' ' 251' ' ' THR . 2.1 mtp180 -73.12 -28.07 62.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 110.25 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 5.0 p -54.66 -47.92 72.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.419 1.075 . . . . 0.0 109.948 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -61.04 -27.63 68.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.22 -25.54 66.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . 0.438 HG22 ' O ' ' B' ' 247' ' ' ARG . 0.0 OUTLIER -119.31 171.05 8.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . 0.431 ' N ' ' OG1' ' B' ' 251' ' ' THR . 2.1 mt-10 -103.86 59.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' B' ' 254' ' ' GLU . 7.0 t-20 -109.16 146.52 33.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' B' ' 253' ' ' ASN . 10.1 pt-20 40.13 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . 0.41 ' N ' ' HG3' ' B' ' 254' ' ' GLU . 0.0 OUTLIER 169.8 48.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.403 1.064 . . . . 0.0 109.625 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.24 154.14 20.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.75 158.01 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.586 1.179 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 24.6 p -104.69 163.92 12.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.308 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 61.92 -160.66 29.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 36.1 m95 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.7 mtm . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.579 0.228 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.5 83.66 0.09 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.409 1.068 . . . . 0.0 111.022 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -109.05 169.62 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.75 93.59 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.2 p -143.23 160.35 40.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.41 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.58 ' CE2' ' OD1' ' B' ' 212' ' ' ASN . 4.6 m-85 -132.46 142.82 49.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -112.47 109.81 19.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.593 1.183 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.79 HG22 HG22 ' B' ' 210' ' ' VAL . 7.2 t -105.25 115.06 46.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 20' ' ' ASP . 93.5 m -113.43 128.95 56.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 1.028 HG22 HG22 ' B' ' 208' ' ' VAL . 5.6 t -125.31 121.39 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.586 1.179 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.567 HG23 ' CA ' ' A' ' 18' ' ' SER . 80.0 m -127.58 144.92 51.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.601 ' ND2' HG11 ' A' ' 46' ' ' VAL . 1.6 m-20 -99.14 122.01 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.468 ' CB ' ' OG1' ' B' ' 205' ' ' THR . 0.8 OUTLIER -81.3 -15.37 55.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' B' ' 204' ' ' ALA . 0.4 OUTLIER -83.32 -36.38 24.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -111.13 -7.16 14.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' ASN . . . 60.74 23.49 61.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.587 1.179 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.667 ' CG1' HG13 ' A' ' 46' ' ' VAL . 11.6 t -90.34 120.22 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.567 ' CA ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -102.49 145.52 29.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.08 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.491 ' HB ' ' CG2' ' A' ' 46' ' ' VAL . 3.2 t -152.84 124.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' HA ' ' HA ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -119.05 144.57 46.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.11 128.36 20.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -97.98 113.51 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.3 t -137.04 129.79 30.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 24' ' ' GLU . 2.1 tm-20 -89.21 95.92 10.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.509 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 3.6 p -133.77 112.47 12.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 -86.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.6 mtm -73.58 -28.14 61.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.011 HG22 HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -51.2 -34.38 31.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.685 ' O ' HG22 ' B' ' 239' ' ' ILE . 24.2 mt -54.47 -36.25 63.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.4 mt -80.34 -26.13 38.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 28' ' ' THR . 89.2 t -63.03 137.38 97.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' B' ' 236' ' ' ALA . 18.1 Cg_endo -75.02 -43.18 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.47 1.773 . . . . 0.0 110.924 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.73 -44.77 90.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.078 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.011 HG21 HG22 ' A' ' 28' ' ' THR . 72.0 t -72.15 -44.79 64.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.646 ' HB1' ' HB ' ' B' ' 239' ' ' ILE . . . -62.5 -48.31 80.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.724 ' HB2' ' HA ' ' B' ' 232' ' ' PRO . . . -58.52 -48.81 79.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -61.73 -35.11 77.11 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.536 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -68.67 -52.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.755 HG22 ' O ' ' B' ' 229' ' ' LEU . 33.4 mm -59.85 -51.17 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -62.14 -42.31 99.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.53 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 9.5 t0 -58.8 -44.52 90.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.803 HD22 ' HB ' ' A' ' 10' ' ' VAL . 0.5 OUTLIER -59.93 -52.26 66.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.627 HG11 HD21 ' B' ' 230' ' ' LEU . 1.6 t -63.64 -44.15 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -56.08 -37.13 68.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.5 m -74.57 -39.83 62.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 110.5 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.667 HG13 ' CG1' ' A' ' 17' ' ' VAL . 4.6 t -60.72 -43.18 94.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 51' ' ' THR . 65.5 mtm180 -72.89 -31.42 64.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.66 -37.06 62.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.406 1.066 . . . . 0.0 110.003 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.77 -28.74 61.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.92 -34.22 62.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.382 1.051 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 47' ' ' ARG . 57.2 p -89.7 140.61 29.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.383 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.83 -64.95 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.251 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.29 134.09 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.524 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 1.7 pt-20 -104.36 113.74 27.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -176.31 -64.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.588 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -118.42 143.07 46.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.3 m -64.02 121.59 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.416 1.072 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -172.39 116.28 0.33 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 108.246 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.545 ' C ' ' CG ' ' A' ' 60' ' ' TRP . . . 129.03 -116.53 2.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.545 ' CG ' ' C ' ' A' ' 59' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' MET . . . . . . . . . . . . . 7.2 mtp . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.453 0.168 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' GLY . . . . . . . . . . . . . . . 56.44 58.09 16.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -122.1 155.35 35.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 0.78 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' ALA . . . . . 0.464 ' HA ' ' CB ' ' A' ' 14' ' ' SER . . . -102.76 107.83 18.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 205' ' ' THR . . . . . 0.493 HG22 ' HB2' ' B' ' 224' ' ' GLU . 11.5 p -147.84 166.9 26.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.414 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 206' ' ' TYR . . . . . 0.549 ' CE2' ' OD1' ' A' ' 12' ' ' ASN . 3.2 m-85 -137.07 143.32 42.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' THR . . . . . . . . . . . . . 2.7 m -111.79 107.73 16.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' VAL . . . . . 1.028 HG22 HG22 ' A' ' 10' ' ' VAL . 50.3 t -106.17 119.33 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' THR . . . . . 0.48 HG23 ' CB ' ' B' ' 220' ' ' ASP . 1.9 m -112.14 147.11 36.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.388 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' VAL . . . . . 0.79 HG22 HG22 ' A' ' 8' ' ' VAL . 2.6 t -140.35 114.13 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' THR . . . . . 0.478 ' CG2' ' HB3' ' B' ' 218' ' ' SER . 57.1 m -122.38 134.6 54.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' ASN . . . . . 0.616 ' O ' ' N ' ' B' ' 216' ' ' GLY . 0.5 OUTLIER -97.08 101.15 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -14.03 29.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 1.2 p -82.06 -34.92 29.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.403 ' O ' HG23 ' B' ' 217' ' ' VAL . 2.2 t30 -111.02 0.24 16.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 216' ' ' GLY . . . . . 0.616 ' N ' ' O ' ' B' ' 212' ' ' ASN . . . 56.14 17.18 16.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.542 1.151 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 217' ' ' VAL . . . . . 0.56 HG12 HG13 ' B' ' 246' ' ' VAL . 43.4 t -90.76 125.16 43.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 218' ' ' SER . . . . . 0.478 ' HB3' ' CG2' ' B' ' 211' ' ' THR . 0.2 OUTLIER -114.31 142.31 46.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.003 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 219' ' ' VAL . . . . . 0.853 ' CG2' HG22 ' B' ' 246' ' ' VAL . 4.2 t -149.84 137.04 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.17 . . . . 0.0 109.326 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 220' ' ' ASP . . . . . 0.482 ' C ' ' CD1' ' B' ' 221' ' ' TYR . 0.0 OUTLIER -117.11 148.92 41.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 221' ' ' TYR . . . . . 0.755 ' CD1' HD23 ' B' ' 242' ' ' LEU . 3.9 m-85 -137.96 126.31 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 222' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.45 114.0 27.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 223' ' ' THR . . . . . . . . . . . . . 1.2 t -138.43 151.93 47.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . 0.493 ' HB2' HG22 ' B' ' 205' ' ' THR . 28.0 tt0 -104.98 93.29 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 225' ' ' THR . . . . . 0.5 ' O ' HD12 ' B' ' 229' ' ' LEU . 5.3 p -134.58 107.12 10.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.433 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 226' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -82.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 227' ' ' MET . . . . . . . . . . . . . 38.4 mmt -74.94 -29.18 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 228' ' ' THR . . . . . 1.003 HG22 HG21 ' B' ' 234' ' ' VAL . 0.0 OUTLIER -52.07 -33.91 41.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 110.46 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 229' ' ' LEU . . . . . 0.755 ' O ' HG22 ' A' ' 39' ' ' ILE . 16.1 mt -53.75 -32.94 54.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 230' ' ' LEU . . . . . 0.627 HD21 HG11 ' A' ' 43' ' ' VAL . 19.1 mt -83.93 -22.01 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 231' ' ' VAL . . . . . 0.597 HG12 ' H ' ' B' ' 234' ' ' VAL . 88.4 t -67.96 134.02 91.94 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.214 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 232' ' ' PRO . . . . . 0.724 ' HA ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.02 -42.8 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 233' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.5 -34.29 73.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 234' ' ' VAL . . . . . 1.003 HG21 HG22 ' B' ' 228' ' ' THR . 96.3 t -82.42 -46.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 235' ' ' ALA . . . . . 0.549 ' HB1' ' CG1' ' A' ' 39' ' ' ILE . . . -65.4 -43.96 88.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 236' ' ' ALA . . . . . 0.537 ' CB ' ' HA ' ' A' ' 32' ' ' PRO . . . -56.43 -48.48 76.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 237' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' B' ' 241' ' ' ASP . 5.5 tt0 -66.85 -35.61 80.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 238' ' ' VAL . . . . . 0.909 ' O ' HD12 ' B' ' 242' ' ' LEU . 2.0 t -65.71 -55.32 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 239' ' ' ILE . . . . . 0.745 HD11 HD11 ' A' ' 39' ' ' ILE . 30.0 mm -56.93 -51.38 69.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.236 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 240' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 236' ' ' ALA . 0.0 OUTLIER -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 241' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' B' ' 237' ' ' GLU . 1.2 t70 -58.0 -44.36 87.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 242' ' ' LEU . . . . . 0.909 HD12 ' O ' ' B' ' 238' ' ' VAL . 0.5 OUTLIER -59.48 -49.78 76.48 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 243' ' ' VAL . . . . . . . . . . . . . 1.8 t -67.93 -45.55 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 244' ' ' ASN . . . . . 0.435 ' ND2' ' HG2' ' B' ' 240' ' ' LYS . 0.9 OUTLIER -55.07 -38.5 68.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 245' ' ' THR . . . . . 0.427 ' HB ' ' OH ' ' B' ' 221' ' ' TYR . 3.7 m -74.55 -40.76 61.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.407 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 246' ' ' VAL . . . . . 0.853 HG22 ' CG2' ' B' ' 219' ' ' VAL . 64.8 t -60.97 -39.49 82.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.403 1.064 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 247' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -73.34 -34.89 65.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 248' ' ' SER . . . . . . . . . . . . . 47.2 m -58.51 -35.18 71.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 249' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -61.43 -25.11 67.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -28.06 35.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 73.0 p -87.5 160.69 18.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.162 . . . . 0.0 110.426 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 252' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.67 -40.85 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.373 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 253' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.92 160.82 30.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 254' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.01 166.81 32.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 255' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -103.62 177.2 4.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.635 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 256' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -97.94 156.73 16.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.353 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 257' ' ' VAL . . . . . 0.413 HG13 ' O ' ' B' ' 257' ' ' VAL . 7.9 p -74.35 120.78 24.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 258' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.84 56.12 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 259' ' ' GLY . . . . . . . . . . . . . . . 44.4 49.89 8.24 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 260' ' ' TRP . . . . . . . . . . . . . 49.3 m0 . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.973 . . . . . . . . 0 0 . 1 stop_ save_